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3-oxohexadecanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104713

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	11

formula

C₃₇H₆₀N₇O₁₈P₃S

charge

-4

mass

1015.29503

reference

chebi:57349

InChIKey

NQMPLXPCRJOSHL-BBECNAHFSA-J

InChI

InChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-24,26,30-32,36,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/t26-,30-,31-,32+,36-/m1/s1

SMILES

CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=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
Identifier	Description
CHEBI:57349 chebi:57349	3-oxohexadecanoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate} 3-oxopalmitoyl-CoA(4-)
bigg.metabolite:3ohdcoa biggM:3ohdcoa	3-Oxohexadecanoyl-CoA
sabiork.compound:2736 sabiorkM:2736	3-Oxopalmitoyl-CoA 3-Ketohexadecanoyl-CoA 3-Ketopalmitoyl-CoA 3-Oxohexadecanoyl-CoA
kegg.compound:C05259 keggC:C05259	3-Oxopalmitoyl-CoA 3-Ketopalmitoyl-CoA 3-Oxohexadecanoyl-CoA
seed.compound:cpd03114 seedM:cpd03114	3-Oxopalmitoyl-CoA 3-Ketopalmitoyl-CoA 3-Oxohexadecanoyl-CoA 3-keto-palmitoyl-CoA 3-oxo-palmitoyl-CoA 3-oxohexadecanoyl-CoA 3ohdcoa
lipidmaps:LMFA07050250 lipidmapsM:LMFA07050250	3-ketopalmitoyl-CoA 3-oxohexadecanoyl-CoA 3-oxopalmitoyl-CoA CoA 16:1 O
SLM:000000869 slm:000000869	3-oxohexadecanoyl-CoA
reactome:R-ALL-77302 reactomeM:R-ALL-77302 CHEBI:15491 chebi:15491	3-oxopalmitoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} 3-Ketopalmitoyl-CoA 3-Oxohexadecanoyl-CoA 3-Oxopalmitoyl-CoA
metacyc.compound:3-OXOPALMITOYL-COA metacycM:3-OXOPALMITOYL-COA	3-oxopalmitoyl-CoA 3-ketopalmitoyl-CoA 3-oxohexadecanoyl-CoA
chebi:11875 chebi:1647 chebi:20176 biggM:M_3ohdcoa keggC:M_C05259 seedM:M_cpd03114	secondary/obsolete/fantasy identifier