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(3S)-3-hydroxydodecanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104711

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	13

formula

C₃₃H₅₄N₇O₁₈P₃S

charge

-4

mass

961.24808

reference

chebi:62558

InChIKey

IJFLXRCJWPKGKJ-LXIXEQKWSA-J

InChI

InChI=1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/t21-,22+,26+,27+,28-,32+/m0/s1

SMILES

CCCCCCCCC[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:62558 chebi:62558	(3S)-3-hydroxydodecanoyl-CoA (S)-3-Hydroxydodecanoyl-CoA (4-) (S)-3-hydroxydodecanoyl-CoA(4-) (S)-3-hydroxylauroyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydodecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
SLM:000001023 slm:000001023	(3S)-hydroxydodecanoyl-CoA
bigg.metabolite:3hddcoa biggM:3hddcoa sabiork.compound:2739 sabiorkM:2739 kegg.compound:C05262 keggC:C05262	(S)-3-Hydroxydodecanoyl-CoA
seed.compound:cpd03116 seedM:cpd03116	(S)-3-Hydroxydodecanoyl-CoA (S)-3-hydroxydodecanoyl-CoA 3hddcoa
metacyc.compound:CPD0-2107 metacycM:CPD0-2107	(S)-3-hydroxydodecanoyl-CoA
reactome:R-ALL-77252 reactomeM:R-ALL-77252 CHEBI:27668 chebi:27668	(S)-3-hydroxylauroyl-CoA (S)-3-Hydroxydodecanoyl-CoA (S)-3-hydroxydodecanoyl-coenzyme A (S)-3-hydroxylauroyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydodecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
lipidmaps:LMFA07050158 lipidmapsM:LMFA07050158	(S)-3-hydroxylauroyl-CoA (S)-3-hydroxydodecanoyl-coenzyme A (S)-3-hydroxylauroyl-coenzyme A 3S-hydroxydodecanoyl-CoA CoA 12:0 O
chebi:18751 chebi:396 biggM:M_3hddcoa keggC:M_C05262 seedM:M_cpd03116	secondary/obsolete/fantasy identifier