Search MNXref
 Feedback

(2E)-hexadecenoyl-CoA

PropertiesImage
MNX_IDMNXM1104633 Image of MNXM1104633
referencechebi:61526
formulaC37H60N7O17P3S
global charge-4
mol weight999.908
InChIKeyJUPAQFRKPHPXLD-MSHHSVQMSA-J
InChIInChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h16-17,24-26,30-32,36,47-48H,4-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b17-16+/t26-,30-,31-,32+,36-/m1/s1
SMILESCCCCCCCCCCCCC/C=C/C(=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/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h16-17,24-26,30-32,36,47-48H,4-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b17-16+/t26-,30-,31-,32+,36-/m1/s1 Image of MNXM1104633
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]/[CH:16]=[CH:17]/[C:28](=[O:46])[S:65][CH2:21][CH2:20][N:39]=[C:27]([CH2:18][CH2:19][N:40]=[C:35]([C@@H:32]([C:37]([CH3:2])([CH3:3])[CH2:23][O:58][P:64]([OH:55])(=[O:56])[O:61][P:63]([OH:53])(=[O:54])[O:57][CH2:22][C@@H:26]1[C@@H:31]([O:60][P:62]([OH:50])([OH:51])=[O:52])[C@@H:30]([OH:47])[C@H:36]([N:44]2[CH:25]=[N:43][C:29]3=[C:33]([NH2:38])[N:41]=[CH:24][N:42]=[C:34]32)[O:59]1)[OH:48])[OH:49])[OH:45]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)32
in models (compartimentalized) 31
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-77284
reactomeM:R-ALL-77284
CHEBI:61526
chebi:61526
JUPAQFRKPHPXLD-MSHHSVQMSA-J 		(2E)-hexadecenoyl-CoA
(E)-C16:1 n-14-CoA
(E)-hexadec-2-enoyl-CoA tetraanion
(E)-hexadec-2-enoyl-CoA(4-)
(E)-hexadec-2-enoyl-coenzyme A tetraanion
(E)-hexadec-2-enoyl-coenzyme A(4-)
trans-2-hexadecenoyl-CoA(4-)
trans-2-hexadecenoyl-coenzyme A tetraanion
trans-2-hexadecenoyl-coenzyme A(4-)
trans-C16:1 n-14-CoA
trans-hexadec-2-enoyl-CoA(4-)

seed.compound:cpd03126
seedM:cpd03126
JUPAQFRKPHPXLD-MSHHSVQMSA-J 		(2E)-Hexadecenoyl-CoA
(2E)-hexadecenoyl-CoA
hdd2coa
trans-2-Hexadecenoyl-CoA
trans-2-hexadecenoyl-CoA
trans-Hexadec-2-enoyl-CoA
trans-hexadec-2-enoyl-CoA

metacyc.compound:CPD0-2117
metacycM:CPD0-2117
JUPAQFRKPHPXLD-MSHHSVQMSA-J 		(2E)-hexadec-2-enoyl-CoA
(2E)-hexadecenoyl-CoA
trans-2-hexadecenoyl-CoA
trans-hexadec-2-enoyl-CoA

SLM:000000444
slm:000000444
JUPAQFRKPHPXLD-MSHHSVQMSA-J 		(2E)-hexadecenoyl-CoA

CHEBI:28935
chebi:28935
JUPAQFRKPHPXLD-MSHHSVQMSA-N 		(E)-hexadec-2-enoyl-CoA
(2E)-Hexadecenoyl-CoA
(2E)-hexadecenoyl-coenzyme A
(E)-2-hexadecenoyl-CoA
(E)-2-hexadecenoyl-coenzyme A
(E)-hexadec-2-enoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-hexadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
trans-2-Hexadecenoyl-CoA
trans-2-hexadecenoyl-coenzyme A
trans-Hexadec-2-enoyl-CoA

lipidmaps:LMFA07050144
lipidmapsM:LMFA07050144
JUPAQFRKPHPXLD-MSHHSVQMSA-N 		(E)-hexadec-2-enoyl-CoA
(2E)-hexadecenoyl-coenzyme A
(E)-2-hexadecenoyl-CoA
(E)-2-hexadecenoyl-coenzyme A
(E)-hexadec-2-enoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-hexadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
CoA 16:1
trans-2-hexadecenoyl-coenzyme A

bigg.metabolite:hdd2coa
biggM:hdd2coa
JUPAQFRKPHPXLD-MSHHSVQMSA-J 		Trans-Hexadec-2-enoyl-CoA

sabiork.compound:2749
sabiorkM:2749
kegg.compound:C05272
keggC:C05272
JUPAQFRKPHPXLD-MSHHSVQMSA-N 		trans-Hexadec-2-enoyl-CoA
(2E)-Hexadecenoyl-CoA
trans-2-Hexadecenoyl-CoA

vmhM:hdd2coa
vmhmetabolite:hdd2coa
JUPAQFRKPHPXLD-MSHHSVQMSA-J 		trans-Hexadec-2-enoyl-CoA
{[5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(hexadec-2-enoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)

chebi:10728
chebi:27047
biggM:M_hdd2coa
keggC:M_C05272
seedM:M_cpd03126
vmhM:M_hdd2coa 		secondary/obsolete/fantasy identifier