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(3S)-hydroxytetradecanoyl-CoA

MNXM767 is deprecated and here replaced by MNXM1104726
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104726 Image of MNXM1104726
referencechebi:62614
formulaC35H58N7O18P3S
global charge-4
mol weight989.869
InChIKeyOXBHKMHNDGRDCZ-STLSENOWSA-J
InChIInChI=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
SMILESCCCCCCCCCCC[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](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/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)/t23-,24+,28+,29+,30-,34+/m0/s1 Image of MNXM1104726
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C@@H:23]([CH2:18][C:26](=[O:45])[S:64][CH2:17][CH2:16][N:37]=[C:25]([CH2:14][CH2:15][N:38]=[C:33]([C@@H:30]([C:35]([CH3:2])([CH3:3])[CH2:20][O:57][P:63]([OH:54])(=[O:55])[O:60][P:62]([OH:52])(=[O:53])[O:56][CH2:19][C@@H:24]1[C@@H:29]([O:59][P:61]([OH:49])([OH:50])=[O:51])[C@@H:28]([OH:46])[C@H:34]([N:42]2[CH:22]=[N:41][C:27]3=[C:31]([NH2:36])[N:39]=[CH:21][N:40]=[C:32]32)[O:58]1)[OH:47])[OH:48])[OH:44])[OH:43]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 12
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62614
chebi:62614
OXBHKMHNDGRDCZ-STLSENOWSA-J 		(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
OXBHKMHNDGRDCZ-STLSENOWSA-J 		(3S)-hydroxytetradecanoyl-CoA

bigg.metabolite:3htdcoa
biggM:3htdcoa
sabiork.compound:2737
sabiorkM:2737
kegg.compound:C05260
keggC:C05260
OXBHKMHNDGRDCZ-STLSENOWSA-J
OXBHKMHNDGRDCZ-STLSENOWSA-N 		(S)-3-Hydroxytetradecanoyl-CoA

seed.compound:cpd03115
seedM:cpd03115
OXBHKMHNDGRDCZ-STLSENOWSA-J 		(S)-3-Hydroxytetradecanoyl-CoA
3-hydroxytetradecanoyl-CoA
3htdcoa

vmhM:3htdcoa
vmhmetabolite:3htdcoa
OXBHKMHNDGRDCZ-STLSENOWSA-J 		(S)-3-Hydroxytetradecanoyl-CoA
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxytetradecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylprop

metacyc.compound:CPD0-2171
metacycM:CPD0-2171
seed.compound:cpd26436
seedM:cpd26436
OXBHKMHNDGRDCZ-STLSENOWSA-J 		(S)-3-hydroxytetradecanoyl-CoA

reactome:R-ALL-77276
reactomeM:R-ALL-77276
CHEBI:27466
chebi:27466
OXBHKMHNDGRDCZ-STLSENOWSA-N 		(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
OXBHKMHNDGRDCZ-STLSENOWSA-N 		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
vmhM:M_3htdcoa 		secondary/obsolete/fantasy identifier