Chol-sdc10

Structural Information

Molecular Formula

C₁₁₇H₁₆₆N₃₀O₅₁P₁₀S₁₀

SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OP(=S)(O)OC[C@@H]5[C@H](C[C@@H](O5)N6C=CC(=NC6=O)N)OP(=O)(OC[C@@H]7[C@H](C[C@@H](O7)N8C=CC(=NC8=O)N)OP(=S)(O)OC[C@@H]9[C@H](C[C@@H](O9)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)O)S)C)C

InChI

InChI=1S/C117H166N30O51P10S10/c1-58(2)7-6-8-59(3)63-11-12-64-62-10-9-60-37-61(13-25-116(60,4)65(62)14-26-117(63,64)5)189-199(159,209)170-49-77-67(39-97(180-77)139-28-16-87(119)129-107(139)150)191-201(161,211)172-51-79-69(41-99(182-79)141-30-18-89(121)131-109(141)152)193-203(163,213)174-53-81-71(43-101(184-81)143-32-20-91(123)133-111(143)154)195-205(165,215)176-55-83-73(45-103(186-83)145-34-22-93(125)135-113(145)156)197-207(167,217)178-57-85-75(47-105(188-85)147-36-24-95(127)137-115(147)158)198-208(168,218)177-56-84-74(46-104(187-84)146-35-23-94(126)136-114(146)157)196-206(166,216)175-54-82-72(44-102(185-82)144-33-21-92(124)134-112(144)155)194-204(164,214)173-52-80-70(42-100(183-80)142-31-19-90(122)132-110(142)153)192-202(162,212)171-50-78-68(40-98(181-78)140-29-17-88(120)130-108(140)151)190-200(160,210)169-48-76-66(148)38-96(179-76)138-27-15-86(118)128-106(138)149/h9,15-24,27-36,58-59,61-85,96-105,148H,6-8,10-14,25-26,37-57H2,1-5H3,(H,159,209)(H,160,210)(H,161,211)(H,162,212)(H,163,213)(H,164,214)(H,165,215)(H,166,216)(H,167,217)(H,168,218)(H2,118,128,149)(H2,119,129,150)(H2,120,130,151)(H2,121,131,152)(H2,122,132,153)(H2,123,133,154)(H2,124,134,155)(H2,125,135,156)(H2,126,136,157)(H2,127,137,158)/t59?,61?,62?,63?,64?,65?,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,116?,117?,199?,200?,201?,202?,203?,204?,205?,206?,207?,208?/m0/s1

InChIKey

TZYHHKOSSDDNJK-YCCKQGKNSA-N

Compound name

4-amino-1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one

Related CIDs

• CID 16204538