CHEBI:216798 - Subtipyrroline C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Subtipyrroline C
ChEBI ID CHEBI:216798
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H22N4O4
Net Charge 0
Average Mass 406.442
Monoisotopic Mass 406.16411
InChI InChI=1S/C22H22N4O4/c1-10-20-12(6-17(24-10)22(29)30)21-16(26-20)7-15(25-21)19(18(28)9-27)13-8-23-14-5-3-2-4-11(13)14/h2-5,7-8,17-19,23,25-28H,6,9H2,1H3,(H,29,30)/t17-,18-,19-/m0/s1
InChIKey LEVUKEHSANPKEA-FHWLQOOXSA-N
SMILES O=C(O)[C@H]1N=C(C=2NC3=C(C2C1)NC([C@H](C=4C5=C(C=CC=C5)NC4)[C@@H](O)CO)=C3)C
Metabolite of Species Details
Bacillus (NCBI:txid1386) See: DOI
ChEBI Ontology
Outgoing Subtipyrroline C (CHEBI:216798) has functional parent α-amino acid (CHEBI:33704)
Subtipyrroline C (CHEBI:216798) is a organonitrogen compound (CHEBI:35352)
Subtipyrroline C (CHEBI:216798) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(11S)-4-[(1S,2R)-2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-9-methyl-3,7,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9-tetraene-11-carboxylic acid
Manual Xref Database
101935348 ChemSpider
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