CHEBI:63462 - glutinol

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ChEBI Name glutinol ChEBI ID CHEBI:63462 Definition A pentacyclic triterpenoid that is picene which has been fully hydrogenated except for a double bond between the 4a and 5 positions and is substituted by methyl groups at the 4, 4, 6bβ, 8aβ, 11, 11, 12bα and 14bβ positions, and by a hydroxy group at the 3β position. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H50O Net Charge 0 Average Mass 426.71740 Monoisotopic Mass 426.38617 InChI InChI=1S/C30H50O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-24,31H,10-19H2,1-8H3/t21-,22+,23-,24+,27-,28+,29-,30+/m1/s1 InChIKey HFSACQSILLSUII-ISSAZSKYSA-N SMILES [H][C@@]12CC[C@H](O)C(C)(C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@]12C ChEBI Ontology Outgoing glutinol (CHEBI:63462) is a pentacyclic triterpenoid (CHEBI:25872) glutinol (CHEBI:63462) is a secondary alcohol (CHEBI:35681) IUPAC Name (3S,6aS,6bR,8aR,12aR,12bS,14aR,14bS)-4,4,6b,8a,11,11,12b,14a-octamethyl-1,2,3,4,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol Synonyms Sources 3β-hydroxy-D:B-friedoolean-5-ene ChEBI 3β-hydroxyglutin-5-ene ChEBI glutin-5-en-3β-ol ChEBI glutinol UniProt Manual Xref Database CPD-13048 MetaCyc View more database links Registry Number Type Source 2339451 Reaxys Registry Number Reaxys Citation Type Source 20610397 PubMed citation SUBMITTER Last Modified 23 December 2011

General Comment 2011-12-22 Needed for the new IUBMB reaction (3S)-2,3-epoxy-2,3-dihydrosqualene = glutinol.