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

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PC(41:6)

	Properties	Image
MNX_ID	MNXM70621
reference	chebi:189602
formula	C₄₉H₈₆NO₈P
global charge	0
mol weight	848.2
InChIKey	HRPRHMPJUIFSCB-KYPHJRDXSA-N
InChI	InChI=1S/C49H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3,4)5)58-49(52)42-40-38-36-34-32-30-27-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,35,37,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-34,36,38-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,37-35-/t47-/m1/s1
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C49H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3,4)5)58-49(52)42-40-38-36-34-32-30-27-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,35,37,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-34,36,38-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,37-35-/t47-/m1/s1
SMILES (mnx)	[CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:25]=[CH:26]\[CH2:28]/[CH:29]=[CH:31]\[CH2:33]/[CH:35]=[CH:37]\[CH2:39][CH2:41][C:48](=[O:51])[O:55][CH2:45][C@H:47]([CH2:46][O:57][P:59](=[O:53])([O-:54])[O:56][CH2:44][CH2:43][N+:50]([CH3:3])([CH3:4])[CH3:5])[O:58][C:49]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:52]

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:189602 chebi:189602 HRPRHMPJUIFSCB-KYPHJRDXSA-N	PC(41:6) [(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-nonadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SLM:000010516 slm:000010516 HRPRHMPJUIFSCB-KYPHJRDXSA-N	1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-nonadecanoyl-sn-glycero-3-phosphocholine PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0) Phosphatidylcholine (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0)
lipidmaps:LMGP01012113 lipidmapsM:LMGP01012113 HRPRHMPJUIFSCB-KYPHJRDXSA-N	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0) 1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-nonadecanoyl-glycero-3-phosphocholine PC 41:6 PC(19:0_22:6) PC(41:6)