Chebi:193071

Structural Information

Molecular Formula

C₆₃H₁₀₃N₂O₆₀P₃

SMILES

C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O[C@@H]2C[C@@](O[C@@H]([C@@H]2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)O)O)OP(=O)(O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)[C@H](CO)O)O)O)O)O)[C@@H](CO)O)(C(=O)O)OC[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)OP(=O)(O)O)NC(=O)CCO)OC(=O)CCO)O)NC(=O)CCOC=O)OC(=O)CCOC=O)OP(=O)(O)O)[C@@H](CO)O)O)O

InChI

InChI=1S/C63H103N2O60P3/c66-5-1-29(80)64-33-51(113-31(82)2-6-67)36(85)27(111-56(33)125-128(103,104)105)16-109-55-34(65-30(81)3-7-106-18-72)52(114-32(83)4-8-107-19-73)50(123-126(97,98)99)28(112-55)17-110-62(60(93)94)10-26(120-63(61(95)96)9-20(74)35(84)46(121-63)23(77)13-70)49(48(122-62)24(78)14-71)118-59-43(92)53(119-58-42(91)38(87)40(89)45(116-58)22(76)12-69)54(124-127(100,101)102)47(117-59)25(79)15-108-57-41(90)37(86)39(88)44(115-57)21(75)11-68/h18-28,33-59,66-71,74-79,84-92H,1-17H2,(H,64,80)(H,65,81)(H,93,94)(H,95,96)(H2,97,98,99)(H2,100,101,102)(H2,103,104,105)/t20-,21+,22+,23-,24-,25+,26-,27-,28-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-,62-,63-/m1/s1

InChIKey

HCGFGHKNLHZAQW-QCOVIJLNSA-N

Compound name

(2R,4R,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-5-[(2S,3S,4R,5R,6R)-4-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(1S)-2-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-3-hydroxy-5-phosphonooxyoxan-2-yl]oxy-2-[[(2R,3S,4R,5R,6R)-5-(3-formyloxypropanoylamino)-4-(3-formyloxypropanoyloxy)-6-[[(2R,3S,4R,5R,6R)-3-hydroxy-5-(3-hydroxypropanoylamino)-4-(3-hydroxypropanoyloxy)-6-phosphonooxyoxan-2-yl]methoxy]-3-phosphonooxyoxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid

Related CIDs

• CID 165368664