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(3S)-3-hydroxydodecanoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1104711Image of MNXM1104711
#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 13
formulaC33H54N7O18P3S
charge-4
mass961.24808
referencechebi:62558
InChIKeyIJFLXRCJWPKGKJ-LXIXEQKWSA-J
InChIInChI=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
SMILESCCCCCCCCC[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
IdentifierDescription
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