CHEBI:136374 - 1-(6-[3]-ladderanehexanyl)-2-(8-[3]-ladderaneoctanyl)-sn-glycero-3-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(6-[3]-ladderanehexanyl)-2-(8-[3]-ladderaneoctanyl)-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:136374
ChEBI ASCII Name 1-(6-[3]-ladderanehexanyl)-2-(8-[3]-ladderaneoctanyl)-sn-glycero-3-phosphocholine
Definition A 1,2-dialkyl-sn-glycero-3-phosphocholine in which the 1- and 2- alkyl groups are specified as [3]-ladderanehexanyl and [3]-ladderaneoctanyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C46H80NO6P
Net Charge 0
Average Mass 774.106
Monoisotopic Mass 773.57233
InChI InChI=1S/C46H80NO6P/c1-47(2,3)24-27-52-54(48,49)53-31-34(30-50-25-12-9-7-11-15-33-17-19-40-42(29-33)46-38-23-21-36(38)44(40)46)51-26-13-8-5-4-6-10-14-32-16-18-39-41(28-32)45-37-22-20-35(37)43(39)45/h32-46H,4-31H2,1-3H3/t32?,33?,34-,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?/m1/s1
InChIKey QQEHCXNZXKPTRM-NRVURWKZSA-N
SMILES C1C(CC2C(C1)C3C2C4C3CC4)CCCCCCOC[C@]([H])(COP(OCC[N+](C)(C)C)(=O)[O-])OCCCCCCCCC5CCC6C(C5)C7C6C8C7CC8
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-(6-[3]-ladderanehexanyl)-2-(8-[3]-ladderaneoctanyl)-sn-glycero-3-phosphocholine (CHEBI:136374) has role human xenobiotic metabolite (CHEBI:76967)
1-(6-[3]-ladderanehexanyl)-2-(8-[3]-ladderaneoctanyl)-sn-glycero-3-phosphocholine (CHEBI:136374) is a 1,2-dialkyl-sn-glycero-3-phosphocholine (CHEBI:72807)
IUPAC Name
(2R)-3-{[6-(tetracyclo[6.4.0.02,7.03,6]dodecan-10-yl)hexyl]oxy}-2-{[8-(tetracyclo[6.4.0.02,7.03,6]dodecan-10-yl)octyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Manual Xref Database
LMGP01040090 LIPID MAPS
View more database links
Last Modified
18 January 2018