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]+ 6070.2983 324.8
[M+Na]+ 6092.2802 324.8
[M+NH4]+ 6087.3248 324.8
[M+K]+ 6108.2542 324.8
[M-H]- 6068.2837 324.8
[M+Na-2H]- 6090.2657 324.8
[M]+ 6069.2905 324.8
[M]- 6069.2915 324.8
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.