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CoA-disulfide

MNXM732831 is deprecated and here replaced by MNXM1108046
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1108046Image of MNXM1108046
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
formulaC42H62N14O32P6S2
charge-8
mass1524.15656
referencechebi:62209
InChIKeyYAISMNQCMHVVLO-ODFVJXNFSA-F
InChIInChI=1S/C42H70N14O32P6S2/c1-41(2,15-81-93(75,76)87-91(71,72)79-13-21-29(85-89(65,66)67)27(59)39(83-21)55-19-53-25-33(43)49-17-51-35(25)55)31(61)37(63)47-7-5-23(57)45-9-11-95-96-12-10-46-24(58)6-8-48-38(64)32(62)42(3,4)16-82-94(77,78)88-92(73,74)80-14-22-30(86-90(68,69)70)28(60)40(84-22)56-20-54-26-34(44)50-18-52-36(26)56/h17-22,27-32,39-40,59-62H,5-16H2,1-4H3,(H,45,57)(H,46,58)(H,47,63)(H,48,64)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H2,43,49,51)(H2,44,50,52)(H2,65,66,67)(H2,68,69,70)/p-8/t21-,22-,27-,28-,29-,30-,31+,32+,39-,40-/m1/s1
SMILESCC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](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
CHEBI:62209
chebi:62209 		CoA-disulfide
CoA disulfide(8-)
CoA-disulfide octaanion
CoA-disulfide(8-)
coenzyme A disulfide
coenzyme A disulfide octaanion
coenzyme A disulfide(8-)
metacyc.compound:CPD-317
metacycM:CPD-317
kegg.compound:C02015
keggC:C02015 		CoA-disulfide
CHEBI:16161
chebi:16161 		CoA-disulfide
(CoA)2
CoA disulfide
Coenzyme A disulfide
sabiork.compound:5943
sabiorkM:5943 		CoA-disulfide
CoASSCoA
chebi:13296
chebi:20880
chebi:3772
keggC:M_C02015 		secondary/obsolete/fantasy identifier