CHEBI:59925 - dihydro-β-ergocryptine

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ChEBI Name dihydro-β-ergocryptine
ChEBI ID CHEBI:59925
ChEBI ASCII Name dihydro-beta-ergocryptine
Definition β-Ergocryptine in which a single bond replaces the double bond between positions 9 and 10.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H43N5O5
Net Charge 0
Average Mass 577.71430
Monoisotopic Mass 577.326
InChI InChI=1S/C32H43N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38)/t18?,20-,22-,24-,25+,27+,31-,32+/m1/s1
InChIKey SBFXHXZNBNFPHV-CROXOCCCSA-N
SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](C(C)CC)C(=O)N3CCC[C@@]23[H])C1=O)C(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dihydro-β-ergocryptine (CHEBI:59925) has functional parent β-ergocryptine (CHEBI:59921)
dihydro-β-ergocryptine (CHEBI:59925) has parent hydride ergotaman (CHEBI:36185)
dihydro-β-ergocryptine (CHEBI:59925) is a ergot alkaloid (CHEBI:23943)
Incoming dihydro-β-ergocryptine mesylate (CHEBI:34704) has part dihydro-β-ergocryptine (CHEBI:59925)
IUPAC Name
(10αH)-5'α-(butan-2-yl)-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman
Synonyms Sources
9,10-dihydro-β-ergocryptine ChEBI
β-dihydroergocryptine ChEBI
Registry Number Type Source
8602493 Beilstein Registry Number Beilstein
Last Modified
02 August 2010