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(3S)-hydroxy-(5Z-tetradecenoyl)-CoA

MNXM14563 is deprecated and here replaced by MNXM1101919
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1101919 Image of MNXM1101919
referencechebi:87705
formulaC35H56N7O18P3S
global charge-4
mol weight987.853
InChIKeyKJJPUIFALMAQPF-SUAKZGBESA-J
InChIInChI=1S/C35H60N7O18P3S/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/h11-12,21-24,28-30,34,43,46-47H,4-10,13-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/b12-11-/t23-,24+,28+,29+,30-,34+/m0/s1
SMILESCCCCCCCC/C=C\C[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/C35H60N7O18P3S/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/h11-12,21-24,28-30,34,43,46-47H,4-10,13-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/b12-11-/t23-,24+,28+,29+,30-,34+/m0/s1 Image of MNXM1101919
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH: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)4
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87705
chebi:87705
KJJPUIFALMAQPF-SUAKZGBESA-J 		(3S)-hydroxy-(5Z-tetradecenoyl)-CoA
(3S,5Z)-3-hydroxytetradec-5-enoyl-CoA(4-)
(3S,5Z)-3-hydroxytetradec-5-enoyl-coenzyme A(4-)

CHEBI:88072
chebi:88072
KJJPUIFALMAQPF-SUAKZGBESA-N 		(3S,5Z)-3-hydroxytetradec-5-enoyl-CoA
(3S,5Z)-3-hydroxytetradec-5-enoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S,5Z)-3-hydroxytetradec-5-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

metacyc.compound:CPD0-1163
metacycM:CPD0-1163
KJJPUIFALMAQPF-SUAKZGBESA-J 		(S)-3-hydroxy-(5Z)-tetradecenoyl-CoA
(3S)-hydroxy-5-cis-tetradecenoyl-CoA
(S)-3-hydroxy-14:1-Delta5-CoA
(S)-3-hydroxy-5-cis-tetradecenoyl-CoA

seed.compound:cpd26003
seedM:cpd26003
KJJPUIFALMAQPF-SUAKZGBESA-J 		3-hydroxy-5-cis-tetradecenoyl-CoA
(3S)-hydroxy-5-cis-tetradecenoyl-CoA
(S)-3-hydroxy-(5Z)-tetradecenoyl-CoA
(S)-3-hydroxy-14:1-delta5-CoA
(S)-3-hydroxy-5-cis-tetradecenoyl-CoA

lipidmaps:LMFA07050422
lipidmapsM:LMFA07050422
KJJPUIFALMAQPF-SUAKZGBESA-N 		3S-hydroxy-5Z-tetradecenoyl-CoA
3S-hydroxy-5Z-tetradecenoyl-CoA
CoA 14:1
O

bigg.metabolite:M01573
biggM:M01573
vmhM:M01573
vmhmetabolite:M01573
KJJPUIFALMAQPF-SUAKZGBESA-J
KJJPUIFALMAQPF-SUAKZGBESA-N 		Cis-(3S)-Hydroxytetradec-5-Enoyl Coenzyme A

biggM:M_M01573
seedM:M_cpd26003
vmhM:M_M01573 		secondary/obsolete/fantasy identifier