CHEBI:59919 - dihydro-α-ergocryptine

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ChEBI Name dihydro-α-ergocryptine
ChEBI ID CHEBI:59919
ChEBI ASCII Name dihydro-alpha-ergocryptine
Definition α-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 577.32642
InChI InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/t20-,22-,24-,25+,26+,31-,32+/m1/s1
InChIKey PBUNVLRHZGSROC-VTIMJTGVSA-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](CC(C)C)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-α-ergocryptine (CHEBI:59919) has functional parent α-ergocryptine (CHEBI:10276)
dihydro-α-ergocryptine (CHEBI:59919) has parent hydride ergotaman (CHEBI:36185)
dihydro-α-ergocryptine (CHEBI:59919) is a ergot alkaloid (CHEBI:23943)
Incoming dihydro-α-ergocryptine mesylate (CHEBI:31487) has part dihydro-α-ergocryptine (CHEBI:59919)
IUPAC Name
(10αH)-12'-hydroxy-5'α-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman
Synonyms Sources
12'-hydroxy-2'-(1-methylethyl)-5'α-(2-methylpropyl)-9,10α-dihydroergotaman-3',6',18-trione ChemIDplus
9,10-dihydro-α-ergocryptine ChEBI
α-dihydroergocryptine ChEBI
Manual Xref Database
4420 DrugCentral
View more database links
Registry Numbers Types Sources
102178 Beilstein Registry Number Beilstein
25447-66-9 CAS Registry Number ChemIDplus
773588 Beilstein Registry Number Beilstein
Citations Waiting for Citations
Last Modified
22 February 2017