CHEBI:94846 - 2-amino-2-methoxypropane-1,3-diol 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-amino-2-methoxypropane-1,3-diol 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid
ChEBI ID CHEBI:94846
Stars This entity has been manually annotated by a third party.
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Formula C24H45NO8
Net Charge 0
Average Mass 475.617
Monoisotopic Mass 475.31452
InChI InChI=1S/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;1-8-4(5,2-6)3-7/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-7H,2-3,5H2,1H3/t15-,16+,17+,18-,19+;/m0./s1
InChIKey RLFNJGOHWGRCER-NULUWHCBSA-N
SMILES CCCCC[C@@H](C=C[C@H]1[C@@H](C[C@@H]([C@@H]1CC=CCCCC(=O)O)O)O)O.COC(CO)(CO)N
ChEBI Ontology
Outgoing 2-amino-2-methoxypropane-1,3-diol 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid (CHEBI:94846) is a prostanoid (CHEBI:26347)
Manual Xref Database
LSM-6063 LINCS
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