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

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DG(15:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]

	Properties	Image
MNX_ID	MNXM104424
reference	chebi:187623
formula	C₃₈H₆₂O₅
global charge	0
mol weight	598.909
InChIKey	MJZAXZJJCOFSJQ-QYDQUYFFSA-N
InChI	InChI=1S/C38H62O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h5,7,11-14,17-18,20-21,25,27,36,39H,3-4,6,8-10,15-16,19,22-24,26,28-35H2,1-2H3/b7-5-,13-11-,14-12-,18-17-,21-20-,27-25-/t36-/m0/s1
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCC

MNX internals

InChI (mnx)	InChI=1/C38H62O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h5,7,11-14,17-18,20-21,25,27,36,39H,3-4,6,8-10,15-16,19,22-24,26,28-35H2,1-2H3/b7-5-,13-11-,14-12-,18-17-,21-20-,27-25-/t36-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:23]/[CH:25]=[CH:27]\[CH2:29][CH2:31][CH2:33][C:38](=[O:41])[O:43][C@@H:36]([CH2:34][OH:39])[CH2:35][O:42][C:37]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:40]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:187623 chebi:187623 MJZAXZJJCOFSJQ-QYDQUYFFSA-N	DG(15:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2] [(2S)-1-hydroxy-3-[(Z)-pentadec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
lipidmaps:LMGL02010465 lipidmapsM:LMGL02010465 MJZAXZJJCOFSJQ-QYDQUYFFSA-N	DG(15:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2] 1-(9Z-pentadecenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol DG 35:6 DG(15:1_20:5) DG(35:6)