Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 09:40:24 UTC
Update Date2022-08-31 06:45:40 UTC
Metabolite IDMMDBc0019636
Metabolite Identification
Common NameArmochaetoglobin P
DescriptionArmochaetoglobin P belongs to the class of organic compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. Based on a literature review very few articles have been published on Armochaetoglobin P.
Structure
SynonymsNot Available
Molecular FormulaC32H37N3O3
Average Mass511.666
Monoisotopic Mass511.283492063
IUPAC Name(2R,5S,6R,7S,8R,10R,11R,15S,17R)-3-hydroxy-5-[(1H-indol-3-yl)methyl]-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.0^{2,6}.0^{2,11}.0^{8,10}]docosa-1(21),3,12,19-tetraen-18-one
Traditional Name(2R,5S,6R,7S,8R,10R,11R,15S,17R)-3-hydroxy-5-(1H-indol-3-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.0^{2,6}.0^{2,11}.0^{8,10}]docosa-1(21),3,12,19-tetraen-18-one
CAS Registry NumberNot Available
SMILES
[H][C@]12O[C@]1(C)[C@@]([H])(C)[C@@]1([H])[C@]([H])(CC3=CNC4=CC=CC=C34)N=C(O)[C@]11C3=CC=C(N3)C(=O)[C@]([H])(C)C[C@@]([H])(C)CC=C[C@@]21[H]
InChI Identifier
InChI=1S/C32H37N3O3/c1-17-8-7-10-22-29-31(4,38-29)19(3)27-25(15-20-16-33-23-11-6-5-9-21(20)23)35-30(37)32(22,27)26-13-12-24(34-26)28(36)18(2)14-17/h5-7,9-13,16-19,22,25,27,29,33-34H,8,14-15H2,1-4H3,(H,35,37)/t17-,18+,19-,22-,25-,27-,29+,31+,32+/m0/s1
InChI KeyVZGSTMNMTIQFGF-DQDUHYBRSA-N