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CHEBI:177600 - Hemorphin-4

ChEBI IDCHEBI:177600
ChEBI NameHemorphin-4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H35N5O7
Net Charge0
Average Mass565.627
Monoisotopic Mass565.25365
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C29H35N5O7/c1-16(35)25(29(40)41)33-26(37)23(14-18-15-31-22-6-3-2-5-20(18)22)32-27(38)24-7-4-12-34(24)28(39)21(30)13-17-8-10-19(36)11-9-17/h2-3,5-6,8-11,15-16,21,23-25,31,35-36H,4,7,12-14,30H2,1H3,(H,32,38)(H,33,37)(H,40,41)/t16-,21+,23+,24+,25+/m1/s1
InChIKeyWEGGKZQIJMQCGR-RECQUVTISA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hemorphin-4 (CHEBI:177600) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoic acid
Manual XrefsDatabases
113854ChemSpider
HMDB0059788HMDB
Registry NumbersSources
CAS:103930-64-9ChemIDplus