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cis-3,4-dehydroadipyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM2649

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₇H₃₇N₇O₁₉P₃S

charge

-5

mass

888.11052

reference

chebi:58786

InChIKey

VYSXESTVCZRDBA-LNGKRSAJSA-I

InChI

InChI=1S/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h3-4,13-15,20-22,26,39-40H,5-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/p-5/b4-3-/t15-,20-,21-,22+,26-/m1/s1

SMILES

CC(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)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58786 chebi:58786	cis-3,4-dehydroadipyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3Z)-5-carboxylatopent-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} cis-3,4-didehydroadipoyl-CoA(5-)
kegg.compound:C19682 keggC:C19682	3,4-Didehydroadipyl-CoA cis-3,4-Dehydroadipyl-CoA
seed.compound:cpd20930 seedM:cpd20930	3,4-Didehydroadipyl-CoA cis-3,4-Dehydroadipyl-CoA cis-3,4-dehydroadipyl-CoA
metacyc.compound:CIS-34-DEHYDROADIPYL-COA metacycM:CIS-34-DEHYDROADIPYL-COA	cis-3,4-dehydroadipyl-CoA
lipidmaps:LMFA07050298 lipidmapsM:LMFA07050298	cis-3,4-didehydroadipoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3Z)-5-carboxypent-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 6:2 O2 cis-3,4-dehydroadipyl-CoA
CHEBI:49179 chebi:49179	cis-3,4-didehydroadipoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3Z)-5-carboxypent-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} cis-3,4-dehydroadipyl-CoA
keggC:M_C19682 seedM:M_cpd20930	secondary/obsolete/fantasy identifier