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(3Z)-6-oxohex-3-enoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM2507Image of MNXM2507
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
formulaC27H38N7O18P3S
charge-4
mass873.12288
referencechebi:58787
InChIKeyHTYJHFRYROLBDM-YINSCCIPSA-J
InChIInChI=1S/C27H42N7O18P3S/c1-27(2,22(39)25(40)30-8-7-17(36)29-9-11-56-18(37)6-4-3-5-10-35)13-49-55(46,47)52-54(44,45)48-12-16-21(51-53(41,42)43)20(38)26(50-16)34-15-33-19-23(28)31-14-32-24(19)34/h3-4,10,14-16,20-22,26,38-39H,5-9,11-13H2,1-2H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/b4-3-/t16-,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)C/C=C\CC=O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:58787
chebi:58787 		(3Z)-6-oxohex-3-enoyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(3Z)-6-oxohex-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] diphosphate}
cis-3,4-didehydroadipoyl-CoA semialdehyde(4-)
sabiork.compound:27789
sabiorkM:27789 		3,4-Dehydroadipyl-CoA semialdehyde
kegg.compound:C19683
keggC:C19683 		3,4-Didehydroadipyl-CoA semialdehyde
(3Z)-6-Oxohex-3-enoyl-CoA
cis-3,4-Dehydroadipyl-CoA semialdehyde
seed.compound:cpd20931
seedM:cpd20931 		3,4-Didehydroadipyl-CoA semialdehyde
cis-3,4-Dehydroadipyl-CoA semialdehyde
seed.compound:cpd23190
seedM:cpd23190 		3,4-dehydroadipyl-CoA semialdehyde
cis-3,4-dehydroadipyl-CoA semialdehyde
metacyc.compound:CPD-12012
metacycM:CPD-12012 		cis-3,4-dehydroadipyl-CoA semialdehyde
CHEBI:49180
chebi:49180 		cis-3,4-didehydroadipoyl-CoA semialdehyde
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(3Z)-6-oxohex-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}
3,4-dehydroadipyl-CoA semialdehyde
lipidmaps:LMFA07050299
lipidmapsM:LMFA07050299 		cis-3,4-didehydroadipoyl-CoA semialdehyde
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(3Z)-6-oxohex-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}
3,4-dehydroadipyl-CoA semialdehyde
CoA 6:2
O
keggC:M_C19683
seedM:M_cpd20931
seedM:M_cpd23190 		secondary/obsolete/fantasy identifier