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(3S)-hydroxyoctanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104724

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	8

formula

C₂₉H₄₆N₇O₁₈P₃S

charge

-4

mass

905.18548

reference

chebi:62617

InChIKey

ATVGTMKWKDUCMS-OTOYJEMWSA-J

InChI

InChI=1S/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/p-4/t17-,18+,22+,23+,24-,28+/m0/s1

SMILES

CCCCC[C@H](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:62617 chebi:62617	(3S)-hydroxyoctanoyl-CoA (S)-3-hydroxycapryloyl-CoA(4-) (S)-3-hydroxyoctanoyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyoctanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
SLM:000001025 slm:000001025	(3S)-hydroxyoctanoyl-CoA
bigg.metabolite:3hocoa biggM:3hocoa	(S)-3-Hydroxyoctanoyl-CoA
sabiork.compound:2743 sabiorkM:2743 kegg.compound:C05266 keggC:C05266	(S)-3-Hydroxyoctanoyl-CoA (S)-3-Hydroxycapryloyl-CoA (S)-Hydroxyoctanoyl-CoA
metacyc.compound:CPD-22313 metacycM:CPD-22313	(S)-3-hydroxyoctanoyl-CoA
reactome:R-ALL-77330 reactomeM:R-ALL-77330 CHEBI:28632 chebi:28632	(S)-3-hydroxyoctanoyl-CoA (S)-3-Hydroxycapryloyl-CoA (S)-3-Hydroxyoctanoyl-CoA (S)-3-hydroxycapryloyl-coenzyme A (S)-3-hydroxyoctanoyl-coenzyme A (S)-Hydroxyoctanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyoctanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
lipidmaps:LMFA07050160 lipidmapsM:LMFA07050160	(S)-3-hydroxyoctanoyl-CoA (S)-3-hydroxycapryloyl-coenzyme A (S)-3-hydroxyoctanoyl-coenzyme A 3S-hydroxyoctanoyl-CoA CoA 8:0 O
seed.compound:cpd03120 seedM:cpd03120	(S)-Hydroxyoctanoyl-CoA (S)-3-Hydroxycapryloyl-CoA (S)-3-Hydroxyoctanoyl-CoA (S)-3-hydroxyoctanoyl-CoA 3hocoa
bigg.metabolite:HC01405 biggM:HC01405	3S-Hydroxy-Octanoyl Coenzyme A
chebi:18750 chebi:18781 chebi:395 chebi:420 biggM:M_3hocoa biggM:M_HC01405 keggC:M_C05266 seedM:M_cpd03120	secondary/obsolete/fantasy identifier