ergotamine
group of stereoisomers with the chemical formula C₃₃H₃₅N₅O₅
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ergotamine
Summary
ergotamine is a group of stereoisomers[1].
Key Facts
- ergotamine's instance of is recorded as group of stereoisomers[2].
- ergotamine's canonical SMILES is recorded as O=C(NC1(OC2(O)N(C1=O)C(C(=O)N3CCCC32)CC=4C=CC=CC4)C)C5C=C6C=7C=CC=C8NC=C(C87)CC6N(C)C5[3].
- ergotamine's InChI is recorded as 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)[4].
- ergotamine's InChIKey is recorded as XCGSFFUVFURLIX-UHFFFAOYSA-N[5].
- ergotamine's chemical formula is recorded as C₃₃H₃₅N₅O₅[6].
- ergotamine's subclass of is recorded as ergotamines[7].
- ergotamine's subclass of is recorded as biogenic 2,5-diketopiperazine[8].
- ergotamine's PubChem CID is recorded as 3251[9].
- ergotamine's found in taxon is recorded as Rhodococcus erythropolis[10].
- ergotamine's Human Metabolome Database ID is recorded as HMDB0251916[11].
- ergotamine's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+581.26381922'}[12].
- ergotamine's SureChEMBL ID is recorded as 18134607[13].
- ergotamine's DSSTox substance ID is recorded as DTXSID90859201[14].
- ergotamine's NMRShiftDB structure ID is recorded as 10017662[15].
- ergotamine's UniChem compound ID is recorded as 1078243[16].
- ergotamine's Probes And Drugs ID is recorded as PD066687[17].