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(3S)-hydroxytetradecanoyl-CoA

MNXM740095 is deprecated and here replaced by MNXM1104726
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104726

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	13

formula

C₃₅H₅₈N₇O₁₈P₃S

charge

-4

mass

989.27938

reference

chebi:62614

InChIKey

OXBHKMHNDGRDCZ-STLSENOWSA-J

InChI

InChI=1S/C35H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-24,28-30,34,43,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/t23-,24+,28+,29+,30-,34+/m0/s1

SMILES

CCCCCCCCCCC[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:62614 chebi:62614	(3S)-hydroxytetradecanoyl-CoA (S)-3-hydroxytetradecanoyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxytetradecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
SLM:000001020 slm:000001020	(3S)-hydroxytetradecanoyl-CoA
bigg.metabolite:3htdcoa biggM:3htdcoa sabiork.compound:2737 sabiorkM:2737 kegg.compound:C05260 keggC:C05260	(S)-3-Hydroxytetradecanoyl-CoA
seed.compound:cpd03115 seedM:cpd03115	(S)-3-Hydroxytetradecanoyl-CoA 3-hydroxytetradecanoyl-CoA 3htdcoa
metacyc.compound:CPD0-2171 metacycM:CPD0-2171 seed.compound:cpd26436 seedM:cpd26436	(S)-3-hydroxytetradecanoyl-CoA
reactome:R-ALL-77276 reactomeM:R-ALL-77276 CHEBI:27466 chebi:27466	(S)-3-hydroxytetradecanoyl-CoA (S)-3-Hydroxytetradecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxytetradecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
lipidmaps:LMFA07050257 lipidmapsM:LMFA07050257	3S-Hydroxytetradecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxytetradecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 14:0 O
chebi:18754 chebi:400 biggM:M_3htdcoa keggC:M_C05260 seedM:M_cpd03115 seedM:M_cpd26436	secondary/obsolete/fantasy identifier