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cis-dec-4-enoyl-CoA

PropertiesImage
MNX_IDMNXM1105051 Image of MNXM1105051
referencechebi:29140
formulaC31H52N7O17P3S
global charge0
mol weight919.778
InChIKeyQTOYQSMKQWCWOX-SGUJYKCESA-N
InChIInChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-9,18-20,24-26,30,41-42H,4-7,10-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b9-8-/t20-,24-,25-,26+,30-/m1/s1
SMILESCCCCC/C=C\CCC(=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/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-9,18-20,24-26,30,41-42H,4-7,10-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b9-8-/t20-,24-,25-,26+,30-/m1/s1 Image of MNXM1105051
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10][CH2:11][C:22](=[O:40])[S:59][CH2:15][CH2:14][N:33]=[C:21]([CH2:12][CH2:13][N:34]=[C:29]([C@@H:26]([C:31]([CH3:2])([CH3:3])[CH2:17][O:52][P:58]([OH:49])(=[O:50])[O:55][P:57]([OH:47])(=[O:48])[O:51][CH2:16][C@@H:20]1[C@@H:25]([O:54][P:56]([OH:44])([OH:45])=[O:46])[C@@H:24]([OH:41])[C@H:30]([N:38]2[CH:19]=[N:37][C:23]3=[C:27]([NH2:32])[N:35]=[CH:18][N:36]=[C:28]32)[O:53]1)[OH:42])[OH:43])[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-109986
reactomeM:R-ALL-109986
CHEBI:29140
chebi:29140
QTOYQSMKQWCWOX-SGUJYKCESA-N 		cis-dec-4-enoyl-CoA
10:1(n-6)-CoA
3'-phosphoadenosine 5'-{3-[4-({3-[(2-{[(4Z)-dec-4-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
4Z-decenoyl-CoA
4Z-decenoyl-coenzyme A
C10:1(n-6)-CoA
Z-dec-4-enoyl-CoA
Z-dec-4-enoyl-coenzyme A
cis-4-decenoyl-CoA
cis-4-decenoyl-coenzyme A
cis-dec-4-enoyl-coenzyme A

bigg.metabolite:dd4coa
biggM:dd4coa
QTOYQSMKQWCWOX-SGUJYKCESA-N 		(4Z)-decenoyl-CoA

CHEBI:233838
chebi:233838
QTOYQSMKQWCWOX-SGUJYKCESA-J 		(4Z)-decenoyl-CoA(4-)
CoA 10:1(4Z)(4-)

bigg.metabolite:dec4coa
biggM:dec4coa
QTOYQSMKQWCWOX-SGUJYKCESA-N 		4 cis decenoyl CoA

sabiork.compound:20829
sabiorkM:20829
QTOYQSMKQWCWOX-SGUJYKCESA-N 		cis-Dec-4-enoyl-CoA

lipidmaps:LMFA07050301
lipidmapsM:LMFA07050301
QTOYQSMKQWCWOX-SGUJYKCESA-N 		cis-dec-4-enoyl-CoA
10:1(n-6)-CoA
3'-phosphoadenosine 5'-{3-[4-({3-[(2-{[(4Z)-dec-4-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
4Z-decenoyl-CoA
4Z-decenoyl-coenzyme A
C10:1(n-6)-CoA
CoA 10:1
Z-dec-4-enoyl-CoA
Z-dec-4-enoyl-coenzyme A
cis-4-decenoyl-CoA
cis-4-decenoyl-coenzyme A
cis-dec-4-enoyl-coenzyme A

biggM:M_dd4coa
biggM:M_dec4coa 		secondary/obsolete/fantasy identifier