Preferred Name

ergotamine

Synonyms

(5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman

Gynergen

12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione

Ergotamin

ergotamina

(5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione

ergotaminum

ergotamine

12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione

Definitions

A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10.

ID

http://purl.obolibrary.org/obo/CHEBI_64318

charge

0

database_cross_reference

PMID:9032799

PMID:32310413

PMID:22444161

PMID:24035295

Wikipedia:Ergotamine

Reaxys:78890

PMID:23519210

PMID:22441761

PMID:11386387

KNApSAcK:C00001724

PMID:22417229

PMID:12525272

PMID:21878097

PDBeChem:ERM

KEGG:C07544

HMDB:HMDB0014834

PMID:23243949

Chemspider:7930

PMID:21181611

PMID:22347148

PMID:21512122

PMID:23519215

DrugBank:DB00696

PMID:29398112

PMID:31570294

PMID:8825693

PMID:29168165

CAS:113-15-5

KEGG:D07906

PMID:9009470

Drug_Central:1043

PMID:10560569

PMID:22414189

PMID:22446707

PMID:12463275

PMID:10611116

PMID:28716900

Beilstein:78890

PMID:12558771

PMID:21879189

definition

A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10.

formula

C33H35N5O5

has role

http://purl.obolibrary.org/obo/CHEBI_25442

http://purl.obolibrary.org/obo/CHEBI_35569

http://purl.obolibrary.org/obo/CHEBI_35941

http://purl.obolibrary.org/obo/CHEBI_35481

http://purl.obolibrary.org/obo/CHEBI_50514

http://purl.obolibrary.org/obo/CHEBI_36063

has_exact_synonym

(5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman

has_obo_namespace

chebi_ontology

has_related_synonym

Gynergen

12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione

Ergotamin

ergotamina

(5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione

ergotaminum

ergotamine

12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione

id

CHEBI:64318

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1

inchikey

XCGSFFUVFURLIX-VFGNJEKYSA-N

is conjugate base of

http://purl.obolibrary.org/obo/CHEBI_190463

label

ergotamine

mass

581.673

monoisotopicmass

581.26382

notation

CHEBI:64318

prefLabel

ergotamine

smiles

[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O

treeView

http://purl.obolibrary.org/obo/CHEBI_25904

subClassOf

http://purl.obolibrary.org/obo/CHEBI_25904

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_64318 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_64318 BERO SAME_URI
http://purl.bioontology.org/ontology/RXNORM/4025 RXNORM LOOM
http://www.co-ode.org/ontologies/galen#Ergotamine GALEN LOOM
http://www.drugbank.ca/drugs/DB00696 FTC LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000020412 NDFRT LOOM
http://purl.obolibrary.org/obo/NCIT_C61751 BERO LOOM
http://purl.bioontology.org/ontology/ATC/N02CA02 ATC LOOM
http://purl.jp/bio/4/id/200906031187940760 IOBC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.132.327.412.400 RH-MESH LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#4602 OCHV LOOM
http://purl.bioontology.org/ontology/RCD/x01R8 RCD LOOM
http://stirdf.jst.go.jp/id/200907063554264184 IOBC LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C61751 NCIT LOOM
http://purl.bioontology.org/ontology/MESH/D004878 MESH LOOM
http://purl.bioontology.org/ontology/VANDF/4022407 VANDF LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/395975005 SNOMEDCT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.549.562.500 RH-MESH LOOM
http://purl.bioontology.org/ontology/SNMI/C-68470 SNMI LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D004878 RH-MESH LOOM
http://purl.bioontology.org/ontology/LNC/LP17994-2 LOINC LOOM
http://purl.bioontology.org/ontology/LNC/MTHU024862 LOINC LOOM
http://purl.obolibrary.org/obo/MESH_D004878 BERO LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0014710 OCHV LOOM
http://www.gamuts.net/entity#ergotamine GAMUTS LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018017 PMAPP-PMO LOOM
https://go.drugbank.com/drugs/DB00696 MDM LOOM
http://purl.obolibrary.org/obo/CHEBI_64318 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_64318 BERO LOOM
http://purl.obolibrary.org/obo/OMIT_0006113 OMIT LOOM
http://purl.obolibrary.org/obo/CHEBI_4562 DRON LOOM