CID 45479266

(galf)30-rha-glcnac-p-p-c50

Structural Information

Molecular Formula
C244H407NO166P2
SMILES
C/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/COP(=O)(O)OP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O[C@H]3[C@@H]([C@H](C(O3)[C@@H](CO)O[C@H]4[C@@H]([C@H](C(O4)[C@@H](CO[C@H]5[C@@H]([C@H](C(O5)[C@@H](CO)O[C@H]6[C@@H]([C@H](C(O6)[C@@H](CO[C@H]7[C@@H]([C@H](C(O7)[C@@H](CO)O[C@H]8[C@@H]([C@H](C(O8)[C@@H](CO[C@H]9[C@@H]([C@H](C(O9)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)NC(=O)C
InChI
InChI=1S/C244H407NO166P2/c1-14-74(2)24-15-25-75(3)26-16-27-76(4)28-17-29-77(5)30-18-31-78(6)32-19-33-79(7)34-20-35-80(8)36-21-37-81(9)38-22-39-82(10)40-23-41-83(11)59-360-412(342,343)411-413(344,345)410-213-117(245-85(13)263)118(279)197(101(43-247)362-213)408-228-164(325)119(280)181(84(12)361-228)378-244-180(341)149(310)212(409-244)116(58-262)377-243-179(340)134(295)196(393-243)100(278)73-359-227-163(324)148(309)211(407-227)115(57-261)376-242-178(339)133(294)195(392-242)99(277)72-358-226-162(323)147(308)210(406-226)114(56-260)375-241-177(338)132(293)194(391-241)98(276)71-357-225-161(322)146(307)209(405-225)113(55-259)374-240-176(337)131(292)193(390-240)97(275)70-356-224-160(321)145(306)208(404-224)112(54-258)373-239-175(336)130(291)192(389-239)96(274)69-355-223-159(320)144(305)207(403-223)111(53-257)372-238-174(335)129(290)191(388-238)95(273)68-354-222-158(319)143(304)206(402-222)110(52-256)371-237-173(334)128(289)190(387-237)94(272)67-353-221-157(318)142(303)205(401-221)109(51-255)370-236-172(333)127(288)189(386-236)93(271)66-352-220-156(317)141(302)204(400-220)108(50-254)369-235-171(332)126(287)188(385-235)92(270)65-351-219-155(316)140(301)203(399-219)107(49-253)368-234-170(331)125(286)187(384-234)91(269)64-350-218-154(315)139(300)202(398-218)106(48-252)367-233-169(330)124(285)186(383-233)90(268)63-349-217-153(314)138(299)201(397-217)105(47-251)366-232-168(329)123(284)185(382-232)89(267)62-348-216-152(313)137(298)200(396-216)104(46-250)365-231-167(328)122(283)184(381-231)88(266)61-347-215-151(312)136(297)199(395-215)103(45-249)364-230-166(327)121(282)183(380-230)87(265)60-346-214-150(311)135(296)198(394-214)102(44-248)363-229-165(326)120(281)182(379-229)86(264)42-246/h14,25,27,29,31,33,35,37,39,41,84,86-244,246-262,264-341H,15-24,26,28,30,32,34,36,38,40,42-73H2,1-13H3,(H,245,263)(H,342,343)(H,344,345)/b74-14-,75-25-,76-27-,77-29-,78-31-,79-33-,80-35-,81-37-,82-39+,83-41+/t84-,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119-,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181-,182?,183?,184?,185?,186?,187?,188?,189?,190?,191?,192?,193?,194?,195?,196?,197+,198?,199?,200?,201?,202?,203?,204?,205?,206?,207?,208?,209?,210?,211?,212?,213-,214+,215+,216+,217+,218+,219+,220+,221+,222+,223+,224+,225+,226+,227+,228-,229+,230+,231+,232+,233+,234+,235+,236+,237+,238+,239+,240+,241+,242+,243+,244+/m0/s1
InChIKey
IOHUKNHAVYLWBG-WYDGYRPASA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

6069.291 Da
Monoisotopic Mass

-43.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6070.298276 312.5
[M+Na]+ 6092.280218 312.5
[M-H]- 6068.283724 312.5
[M+NH4]+ 6087.324823 312.4
[M+K]+ 6108.254158 312.4
[M+H-H2O]+ 6052.288260 312.4
[M+HCOO]- 6114.289201 312.4
[M+CH3COO]- 6128.304851 312.4
[M+Na-2H]- 6090.265666 312.4
[M]+ 6069.29045142 312.5
[M]- 6069.29154858 312.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.