(11Z)-octadecenoyl-CoA (Q27145240)

cis-Vaccenoyl-coa (English)

8 October 2016

chemical formula

C₃₉H₆₈N₇O₁₇P₃S

1 reference

cis-Vaccenoyl-coa (English)

8 October 2016

canonical SMILES

CCCCCCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

1 reference

cis-Vaccenoyl-coa (English)

8 October 2016

isomeric SMILES

CCCCCC/C=C\CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

1 reference

cis-Vaccenoyl-coa (English)

InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h9-10,26-28,32-34,38,49-50H,4-8,11-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b10-9-/t28-,32-,33-,34+,38-/m1/s1

8 October 2016

Identifiers

InChI

1 reference

cis-Vaccenoyl-coa (English)

HEJOXXLSCAQQGQ-SAIINBSPSA-N

8 October 2016

InChIKey

2 references

cis-Vaccenoyl-coa (English)

CAS (formerly Chemical Abstracts Service)

8 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

852101-47-4

1 reference

stated in

25 January 2022

1 reference

S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~- (English)

8 October 2016

1 reference