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(7Z)-hexadecenoyl-CoA

MNXM149511 is deprecated and here replaced by MNXM1101255
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1101255 Image of MNXM1101255
referencechebi:87698
formulaC37H60N7O17P3S
global charge-4
mol weight999.908
InChIKeyMJWMOLDKMBISOB-YDGGZUKGSA-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/h11-12,24-26,30-32,36,47-48H,4-10,13-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b12-11-/t26-,30-,31-,32+,36-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCC(=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/h11-12,24-26,30-32,36,47-48H,4-10,13-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b12-11-/t26-,30-,31-,32+,36-/m1/s1 Image of MNXM1101255
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][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)16
in models (compartimentalized) 14
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87698
chebi:87698
MJWMOLDKMBISOB-YDGGZUKGSA-J 		(7Z)-hexadecenoyl-CoA
(7Z)-hexadecenoyl-CoA(4-)
(7Z)-hexadecenoyl-coenzyme A(4-)
cis-hexadec-7-enoyl-CoA(4-)
cis-hexadec-7-enoyl-coenzyme A(4-)

seed.compound:cpd35781
seedM:cpd35781
MJWMOLDKMBISOB-YDGGZUKGSA-J 		(7Z)-hexadec-7-enoyl-CoA
(7Z)-hexadecenoyl-CoA
16:1 cis-7
16:1(n-9)
cis-hexadec-7-enoyl-CoA

bigg.metabolite:hd7coa
biggM:hd7coa
SLM:000501054
slm:000501054
MJWMOLDKMBISOB-YDGGZUKGSA-J 		(7Z)-hexadecenoyl-CoA

metacyc.compound:CPD-19144
metacycM:CPD-19144
MJWMOLDKMBISOB-YDGGZUKGSA-J 		(7Z)-hexadecenoyl-CoA
(7Z)-hexadec-7-enoyl-CoA
16:1 cis-7
16:1(n-9)
cis-hexadec-7-enoyl-CoA

CHEBI:88008
chebi:88008
MJWMOLDKMBISOB-YDGGZUKGSA-N 		(7Z)-hexadecenoyl-CoA
(7Z)-hexadecenoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(7Z)-hexadec-7-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
cis-hexadec-7-enoyl-CoA
cis-hexadec-7-enoyl-coenzyme A

bigg.metabolite:hexde7coa
biggM:hexde7coa
MJWMOLDKMBISOB-YDGGZUKGSA-J 		7-Hexadecenoyl Coenzyme A

bigg.metabolite:M01191
biggM:M01191
vmhM:M01191
vmhmetabolite:M01191
MJWMOLDKMBISOB-YDGGZUKGSA-J
MJWMOLDKMBISOB-YDGGZUKGSA-N 		7Z-Hexadecenoyl Coenzyme A

lipidmaps:LMFA07050417
lipidmapsM:LMFA07050417
MJWMOLDKMBISOB-YDGGZUKGSA-N 		7Z-hexadecenoyl-CoA
7Z-hexadecenoyl-CoA
CoA 16:1

biggM:M_M01191
biggM:M_hd7coa
biggM:M_hexde7coa
seedM:M_cpd35781
vmhM:M_M01191 		secondary/obsolete/fantasy identifier