MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA

MNXM1512 is deprecated and here replaced by MNXM1104014
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1104014
reference	chebi:74087
formula	C₄₅H₇₀N₇O₁₇P₃S
global charge	-4
mol weight	1106.076
InChIKey	OKOXEYTYHDPTEW-GJYKHRJNSA-J
InChI	InChI=1S/C45H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4-7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40+,44-/m1/s1
SMILES	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=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/C45H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4-7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40+,44-/m1/s1
SMILES (mnx)	[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:36](=[O:54])[S:73][CH2:29][CH2:28][N:47]=[C:35]([CH2:26][CH2:27][N:48]=[C:43]([C@@H:40]([C:45]([CH3:2])([CH3:3])[CH2:31][O:66][P:72]([OH:63])(=[O:64])[O:69][P:71]([OH:61])(=[O:62])[O:65][CH2:30][C@@H:34]1[C@@H:39]([O:68][P:70]([OH:58])([OH:59])=[O:60])[C@@H:38]([OH:55])[C@H:44]([N:52]2[CH:33]=[N:51][C:37]3=[C:41]([NH2:46])[N:49]=[CH:32][N:50]=[C:42]32)[O:67]1)[OH:56])[OH:57])[OH:53]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	20
in models (compartimentalized)	15

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74087 chebi:74087 OKOXEYTYHDPTEW-GJYKHRJNSA-J	(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA(4-) (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] diphosphate}
kegg.compound:C16171 keggC:C16171 OKOXEYTYHDPTEW-GJYKHRJNSA-N	(9Z,12Z,15Z,18Z)-Tetracosatetraenoyl-CoA
seed.compound:cpd14892 seedM:cpd14892 OKOXEYTYHDPTEW-GJYKHRJNSA-J	(9Z,12Z,15Z,18Z)-Tetracosatetraenoyl-CoA (9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoyl-CoA (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA
SLM:000389165 slm:000389165 OKOXEYTYHDPTEW-GJYKHRJNSA-J	(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA
metacyc.compound:CPD-17328 metacycM:CPD-17328 OKOXEYTYHDPTEW-GJYKHRJNSA-J	(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA (9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoyl-CoA
reactome:R-ALL-2046048 reactomeM:R-ALL-2046048 CHEBI:63548 chebi:63548 OKOXEYTYHDPTEW-GJYKHRJNSA-N	(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA 24:4(n-6) 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate} 9Z,12Z,15Z,18Z-Tetracosatetraenoyl-CoA all-cis-9,12,15,18-tetracosatetraenoyl-CoA tetracosatetraenoyl-CoA
lipidmaps:LMFA07050139 lipidmapsM:LMFA07050139 OKOXEYTYHDPTEW-GJYKHRJNSA-N	(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA 24:4(n-6) 9Z,12Z,15Z,18Z-Tetracosatetraenoyl-CoA CoA 24:4 all-cis-9,12,15,18-tetracosatetraenoyl-CoA tetracosatetraenoyl-CoA
bigg.metabolite:CE4837 biggM:CE4837 OKOXEYTYHDPTEW-GJYKHRJNSA-J	Tetracosa-9,12,15,18-all-cis-tetraenoyl-CoA
bigg.metabolite:tettet6coa biggM:tettet6coa OKOXEYTYHDPTEW-GJYKHRJNSA-J	Tetracosatetraenoyl coenzyme A
vmhM:CE4837 vmhmetabolite:CE4837 OKOXEYTYHDPTEW-GJYKHRJNSA-J	tetracosa-9,12,15,18-all-cis-tetraenoyl-CoA {[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoylsulfanyl]ethyl}carbamoyl
vmhM:tettet6coa vmhmetabolite:tettet6coa OKOXEYTYHDPTEW-GJYKHRJNSA-J	tetracosatetraenoyl coenzyme A {[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoylsulfanyl]ethyl}carbamoyl
biggM:M_CE4837 biggM:M_tettet6coa keggC:M_C16171 seedM:M_cpd14892 vmhM:M_CE4837 vmhM:M_tettet6coa	secondary/obsolete/fantasy identifier