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(4Z,7Z,10Z,13Z)-hexadecatetraenoyl-CoA

MNXM98445 is deprecated and here replaced by MNXM1104955
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104955 Image of MNXM1104955
referencechebi:233765
formulaC37H54N7O17P3S
global charge-4
mol weight993.86
InChIKeyJTUHLFLWSYGZLP-WADDQEABSA-J
InChIInChI=1S/C37H58N7O17P3S/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/h5-6,8-9,11-12,14-15,24-26,30-32,36,47-48H,4,7,10,13,16-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b6-5-,9-8-,12-11-,15-14-/t26-,30-,31-,32+,36-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/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/C37H58N7O17P3S/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/h5-6,8-9,11-12,14-15,24-26,30-32,36,47-48H,4,7,10,13,16-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b6-5-,9-8-,12-11-,15-14-/t26-,30-,31-,32+,36-/m1/s1 Image of MNXM1104955
SMILES (mnx)[CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH: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)7
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:233765
chebi:233765
JTUHLFLWSYGZLP-WADDQEABSA-J 		(4Z,7Z,10Z,13Z)-hexadecatetraenoyl-CoA
(4Z,7Z,10Z,13Z)-hexadecatetraenoyl-CoA(4-)
CoA 16:4(4Z,7Z,10Z,13Z)(4-)

bigg.metabolite:4hexdtetcoa
biggM:4hexdtetcoa
JTUHLFLWSYGZLP-WADDQEABSA-J 		4,7,10,13-Hexadecatetraenoyl Coenzyme A

lipidmaps:LMFA07050452
lipidmapsM:LMFA07050452
JTUHLFLWSYGZLP-WADDQEABSA-N 		4Z,7Z,10Z,13Z-hexadecatetraenoyl-CoA
4Z,7Z,10Z,13Z-hexadecatetraenoyl-CoA
CoA 16:4

metacyc.compound:CPD-14239
metacycM:CPD-14239
seed.compound:cpd24239
seedM:cpd24239
JTUHLFLWSYGZLP-WADDQEABSA-J 		hexadeca-4,7,10,13-tetraene-1-oyl-CoA
(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraene-1-oyl-CoA

biggM:M_4hexdtetcoa
seedM:M_cpd24239 		secondary/obsolete/fantasy identifier