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(3S)-hydroxy-(9Z-hexadecenoyl)-CoA

PropertiesImage
MNX_IDMNXM164008 Image of MNXM164008
referencechebi:232641
formulaC37H60N7O18P3S
global charge-4
mol weight1015.907
InChIKeyZIRSQPAPHGZDIL-VSCXGISKSA-J
InChIInChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h9-10,23-26,30-32,36,45,48-49H,4-8,11-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b10-9-/t25-,26+,30+,31+,32-,36+/m0/s1
SMILESCCCCCC/C=C\CCCCC[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/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h9-10,23-26,30-32,36,45,48-49H,4-8,11-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b10-9-/t25-,26+,30+,31+,32-,36+/m0/s1 Image of MNXM164008
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C@@H:25]([CH2:20][C:28](=[O:47])[S:66][CH2:19][CH2:18][N:39]=[C:27]([CH2:16][CH2:17][N:40]=[C:35]([C@@H:32]([C:37]([CH3:2])([CH3:3])[CH2:22][O:59][P:65]([OH:56])(=[O:57])[O:62][P:64]([OH:54])(=[O:55])[O:58][CH2:21][C@@H:26]1[C@@H:31]([O:61][P:63]([OH:51])([OH:52])=[O:53])[C@@H:30]([OH:48])[C@H:36]([N:44]2[CH:24]=[N:43][C:29]3=[C:33]([NH2:38])[N:41]=[CH:23][N:42]=[C:34]32)[O:60]1)[OH:49])[OH:50])[OH:46])[OH:45]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:232641
chebi:232641
ZIRSQPAPHGZDIL-VSCXGISKSA-J 		(3S)-hydroxy-(9Z-hexadecenoyl)-CoA
(3S)-hydroxypalmitoleoyl-CoA(4-)
(3S,9Z)-3-hydroxyhexadecenoyl-CoA(4-)
(S)-3-OH-16:1(9Z)-CoA(4-)

metacyc.compound:CPD-19155
metacycM:CPD-19155
ZIRSQPAPHGZDIL-VSCXGISKSA-J 		(S)-3-hydroxy-(9Z)-hexadecenoyl-CoA
(S)-3-hydroxy-16:1-Delta9-CoA
(S)-3-hydroxy-9-cis-hexadecenoyl-CoA

seed.compound:cpd34299
seedM:cpd34299
ZIRSQPAPHGZDIL-VSCXGISKSA-J 		(S)-3-hydroxy-(9Z)-hexadecenoyl-CoA
(S)-3-hydroxy-16:1-delta9-CoA
(S)-3-hydroxy-9-cis-hexadecenoyl-CoA

bigg.metabolite:CE2592
biggM:CE2592
ZIRSQPAPHGZDIL-VSCXGISKSA-J 		(S)-3-hydroxypalmitoleoyl-CoA

vmhM:CE2592
vmhmetabolite:CE2592
ZIRSQPAPHGZDIL-VSCXGISKSA-J 		(S)-3-hydroxypalmitoleoyl-CoA
{[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-3-{[2-({2-[(3-hydroxyhexadec-9-enoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy)phosphoryl]o

lipidmaps:LMFA07050474
lipidmapsM:LMFA07050474
ZIRSQPAPHGZDIL-VSCXGISKSA-N 		3S-Hydroxy-9Z-hexadecenoyl-CoA
3S-Hydroxy-9Z-hexadecenoyl-CoA
CoA 16:1
O

biggM:M_CE2592
seedM:M_cpd34299
vmhM:M_CE2592 		secondary/obsolete/fantasy identifier