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

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PC(21:4(6Z,9Z,12Z,15Z)/0:0)

	Properties	Image
MNX_ID	MNXM70333
reference	chebi:187781
formula	C₂₉H₅₂NO₇P
global charge	0
mol weight	557.709
InChIKey	RNQAOZAEVSUZIQ-USFIXLQGSA-N
InChI	InChI=1S/C29H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)35-26-28(31)27-37-38(33,34)36-25-24-30(2,3)4/h9-10,12-13,15-16,18-19,28,31H,5-8,11,14,17,20-27H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t28-/m1/s1
SMILES	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C

MNX internals

InChI (mnx)	InChI=1/C29H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)35-26-28(31)27-37-38(33,34)36-25-24-30(2,3)4/h9-10,12-13,15-16,18-19,28,31H,5-8,11,14,17,20-27H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t28-/m1/s1
SMILES (mnx)	[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][C:29](=[O:32])[O:35][CH2:26][C@H:28]([CH2:27][O:37][P:38](=[O:33])([O-:34])[O:36][CH2:25][CH2:24][N+:30]([CH3:2])([CH3:3])[CH3:4])[OH:31]

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:187781 chebi:187781 RNQAOZAEVSUZIQ-USFIXLQGSA-N	PC(21:4(6Z,9Z,12Z,15Z)/0:0) [(2R)-3-[(6Z,9Z,12Z,15Z)-henicosa-6,9,12,15-tetraenoyl]oxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
lipidmaps:LMGP01050004 lipidmapsM:LMGP01050004 RNQAOZAEVSUZIQ-USFIXLQGSA-N	PC(21:4(6Z,9Z,12Z,15Z)/0:0) 1-(6Z,9Z,12Z,15Z-heneicosatetraenoyl)-sn-glycero-3-phosphocholine LPC 21:4 LPC(21:4) PC(21:4/0:0)