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CHEBI:214120 - Asperpeptide A

ChEBI IDCHEBI:214120
ChEBI NameAsperpeptide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31N5O7
Net Charge0
Average Mass537.573
Monoisotopic Mass537.22235
SMILESC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc(O)ccc2NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O
InChIInChI=1S/C27H31N5O7/c1-14-23(35)29-15(2)27(39)32-11-3-4-22(32)26(38)30-20-10-9-18(34)13-19(20)24(36)31-21(25(37)28-14)12-16-5-7-17(33)8-6-16/h5-10,13-15,21-22,33-34H,3-4,11-12H2,1-2H3,(H,28,37)(H,29,35)(H,30,38)(H,31,36)/t14-,15-,21-,22-/m0/s1
InChIKeyOZUSOFRSIVJVID-KDIGXEEGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25001296)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Asperpeptide A (CHEBI:214120) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(4S,10S,13S,16S)-21-hydroxy-16-[(4-hydroxyphenyl)methyl]-10,13-dimethyl-2,8,11,14,17-pentazatricyclo[17.4.0.04,8]tricosa-1(19),20,22-triene-3,9,12,15,18-pentone
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34981369ChemSpider