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(Z)-hex-3-enoyl-CoA(4-)

PropertiesImage
MNX_IDMNXM1583968 Image of MNXM1583968
referencechebi:85415
formulaC27H40N7O17P3S
global charge-4
mol weight859.638
InChIKeySKDDJNFRAZIJIG-KEOONSNPSA-J
InChIInChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h5-6,14-16,20-22,26,37-38H,4,7-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/b6-5-/t16-,20-,21-,22+,26-/m1/s1
SMILESCC/C=C\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-]
MNX internals
InChI (mnx)InChI=1/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h5-6,14-16,20-22,26,37-38H,4,7-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b6-5-/t16-,20-,21-,22+,26-/m1/s1 Image of MNXM1583968
SMILES (mnx)[CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7][C:18](=[O:36])[S:55][CH2:11][CH2:10][NH:29][C:17]([CH2:8][CH2:9][NH:30][C:25]([C@@H:22]([C:27]([CH3:2])([CH3:3])[CH2:13][O:48][P:54](=[O:45])([OH:46])[O:51][P:53](=[O:43])([OH:44])[O:47][CH2:12][C@@H:16]1[C@@H:21]([O:50][P:52]([OH:40])([OH:41])=[O:42])[C@@H:20]([OH:37])[C@H:26]([n:34]2[cH:15][n:33][c:19]3[c:23]([NH2:28])[n:31][cH:14][n:32][c:24]32)[O:49]1)[OH:38])=[O:39])=[O:35]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85415
chebi:85415
SKDDJNFRAZIJIG-KEOONSNPSA-J 		(Z)-hex-3-enoyl-CoA(4-)
(3Z)-hexenoyl-CoA
(3Z)-hexenoyl-CoA(4-)
(3Z)-hexenoyl-coenzyme A(4-)
(Z)-hex-3-enoyl-coenzyme A(4-)
cis-3-hexenoyl-CoA(4-)
cis-3-hexenoyl-coenzyme A(4-)
cis-hex-3-enoyl-CoA(4-)
cis-hex-3-enoyl-coenzyme A(4-)

metacyc.compound:CPD-14727
metacycM:CPD-14727
SKDDJNFRAZIJIG-KEOONSNPSA-J 		(3Z)-hex-3-enoyl-CoA
(3Z)-hexenoyl-CoA
3-cis-hexenoyl coenzyme A
3-cis-hexenoyl-CoA

SLM:000390210
slm:000390210
SKDDJNFRAZIJIG-KEOONSNPSA-J 		(3Z)-hexenoyl-CoA

CHEBI:85889
chebi:85889
SKDDJNFRAZIJIG-KEOONSNPSA-N 		(Z)-hex-3-enoyl-CoA
(3Z)-hexenoyl-CoA
(3Z)-hexenoyl-coenzyme A
(Z)-hex-3-enoyl-coenzyme A
5'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3Z)-hex-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
cis-3-hexenoyl-CoA
cis-3-hexenoyl-coenzyme A
cis-hex-3-enoyl-CoA
cis-hex-3-enoyl-coenzyme A

bigg.metabolite:hexe3coa
biggM:hexe3coa
SKDDJNFRAZIJIG-KEOONSNPSA-J 		3-Hexenoyl Coenzyme A

seed.compound:cpd32973
seedM:cpd32973
SKDDJNFRAZIJIG-KEOONSNPSA-J 		3-cis-hexenoyl coenzyme A
3-cis-hexenoyl-CoA

lipidmaps:LMFA07050430
lipidmapsM:LMFA07050430
SKDDJNFRAZIJIG-KEOONSNPSA-N 		3Z-hexenoyl-CoA
3Z-hexenoyl-CoA
CoA 6:1

sabiork.compound:23779
sabiorkM:23779
SKDDJNFRAZIJIG-KEOONSNPSA-N 		cis-3-Hexenoyl-CoA
S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda5,5lambda5-diphosphaheptadecan-17-yl} (3Z)-3-hexenethioate

biggM:M_hexe3coa
seedM:M_cpd32973 		secondary/obsolete/fantasy identifier