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Vaccenyl coenzyme A

PropertiesImageOccurences in reactions
MNX_IDMNXM4868Image of MNXM4868
#reac
in my sandbox 0
in MNXref (generic)20
in models (compartimentalized) 42
formulaC39H68N7O17P3S
charge0
mass1031.36052
referencebiggM:vacccoa
InChIKeyHEJOXXLSCAQQGQ-NPPGZUNGSA-N
InChIInChI=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
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:vacccoa
biggM:vacccoa
Vaccenyl coenzyme A
biggM:M_vacccoa secondary/obsolete/fantasy identifier