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benzoyl-CoA

MNXM240 is deprecated and here replaced by MNXM1104318
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1104318Image of MNXM1104318
#reac
in my sandbox 0
in MNXref (generic)66
in models (compartimentalized) 5
formulaC28H36N7O17P3S
charge-4
mass867.11232
referencechebi:57369
InChIKeyVEVJTUNLALKRNO-TYHXJLICSA-J
InChIInChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/t17-,20-,21-,22+,26-/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)NCCSC(=O)c1ccccc1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:57369
chebi:57369
benzoyl-CoA
3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(benzoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)
benzoyl-CoA tetraanion
benzoyl-CoA(4-)
benzoyl-coenzyme A(4-)
bigg.metabolite:bzcoa
biggM:bzcoa
Benzoyl Coenzyme A
seed.compound:cpd00401
seedM:cpd00401
Benzoyl-CoA
S-Benzoate coenzyme A
S-benzoate coenzyme A
benzoyl-CoA
benzoyl-S-CoA
kegg.compound:C00512
keggC:C00512
Benzoyl-CoA
S-Benzoyl-coenzyme A
sabiork.compound:2067
sabiorkM:2067
Benzoyl-CoA
S-benzoate Coenzyme A
reactome:R-ALL-159447
reactomeM:R-ALL-159447
CHEBI:15515
chebi:15515
benzoyl-CoA
3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(benzoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Benzoyl-CoA
S-Benzoate coenzyme A
S-benzoyl-coenzyme A
benzoyl coenzyme A
benzoyl-S-coenzyme A
benzoyl-coenzyme A
metacyc.compound:BENZOYLCOA
metacycM:BENZOYLCOA
benzoyl-CoA
S-benzoate coenzyme A
benzoyl-S-CoA
chebi:13882
chebi:13883
chebi:22735
chebi:8952
biggM:M_bzcoa
keggC:M_C00512
seedM:M_cpd00401
secondary/obsolete/fantasy identifier