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

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archaetidylethanolamine

	Properties	Image
MNX_ID	MNXM16146
reference	chebi:134176
formula	C₄₅H₇₈NO₆P
global charge	0
mol weight	760.094
InChIKey	DSANZEHUTZKIEB-JOSSBAKDSA-N
InChI	InChI=1S/C45H78NO6P/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-32-49-35-45(36-52-53(47,48)51-34-31-46)50-33-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h17-18,21-22,25-26,29-30,45H,11-16,19-20,23-24,27-28,31-36,46H2,1-10H3,(H,47,48)/b39-21+,40-22+,41-25+,42-26+,43-29+,44-30+/t45-/m0/s1
SMILES	CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC[C@@H](COP(=O)([O-])OCC[NH3+])OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C

MNX internals

InChI (mnx)	InChI=1/C45H78NO6P/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-32-49-35-45(36-52-53(47,48)51-34-31-46)50-33-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h17-18,21-22,25-26,29-30,45H,11-16,19-20,23-24,27-28,31-36,46H2,1-10H3,(H,47,48)/b39-21+,40-22+,41-25+,42-26+,43-29+,44-30+/t45-/m0/s1
SMILES (mnx)	[CH3:1][C:37]([CH3:2])=[CH:17][CH2:11][CH2:19]/[C:39]([CH3:5])=[CH:21]/[CH2:13][CH2:23]/[C:41]([CH3:7])=[CH:25]/[CH2:15][CH2:27]/[C:43]([CH3:9])=[CH:29]/[CH2:32][O:49][CH2:35][C@@H:45]([CH2:36][O:52][P:53]([OH:47])(=[O:48])[O:51][CH2:34][CH2:31][NH2:46])[O:50][CH2:33]/[CH:30]=[C:44](\[CH3:10])[CH2:28][CH2:16]/[CH:26]=[C:42](\[CH3:8])[CH2:24][CH2:14]/[CH:22]=[C:40](\[CH3:6])[CH2:20][CH2:12][CH:18]=[C:38]([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:134176 chebi:134176 DSANZEHUTZKIEB-JOSSBAKDSA-N	archaetidylethanolamine 2,3-bis-O-(geranylgeranyl)-sn-glycero-3-phosphoethanolamine zwitterion 2-azaniumylethyl (2S)-2,3-bis{[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}propyl phosphate unsaturated archaetidylethanolamine
CHEBI:136687 chebi:136687 DSANZEHUTZKIEB-JOSSBAKDSA-N	2,3-bis-O-(geranylgeranyl)-sn-glycero-3-phosphoethanolamine 2,3-bis(geranylgeranyl)-sn-glycero-3-phosphoethanolamine 2-aminoethyl (2S)-2,3-bis{[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}propyl hydrogen phosphate unsaturated archaetidylethanolamine
metacyc.compound:CPD-11919 metacycM:CPD-11919 DSANZEHUTZKIEB-JOSSBAKDSA-N	2,3-bis-O-geranylgeranyl-sn-glycero-1-phosphoethanolamine unsaturated archaetidylethanolamine
seed.compound:cpd23146 seedM:cpd23146 DSANZEHUTZKIEB-JOSSBAKDSA-N	archaetidylethanolamine unsaturated archaetidylethanolamine
seedM:M_cpd23146	secondary/obsolete/fantasy identifier