EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:206180 - Cordyheptapeptide C

ChEBI IDCHEBI:206180
ChEBI NameCordyheptapeptide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H63N7O8
Net Charge0
Average Mass866.073
Monoisotopic Mass865.47381
SMILESCC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C1=O
InChIInChI=1S/C48H63N7O8/c1-30(2)25-36-45(60)54(7)40(28-33-17-12-9-13-18-33)48(63)55-24-14-19-38(55)47(62)52(5)29-41(57)49-37(26-32-15-10-8-11-16-32)46(61)53(6)39(27-34-20-22-35(56)23-21-34)43(58)51-42(31(3)4)44(59)50-36/h8-13,15-18,20-23,30-31,36-40,42,56H,14,19,24-29H2,1-7H3,(H,49,57)(H,50,59)(H,51,58)/t36-,37-,38-,39-,40+,42-/m0/s1
InChIKeyOBPKNQFZNTVEGQ-AWTCUSSHSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (22642609)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cordyheptapeptide C (CHEBI:206180) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3R,6S,9S,12S,15S,21S)-3,15-dibenzyl-12-[(4-hydroxyphenyl)methyl]-4,13,19-trimethyl-6-(2-methylpropyl)-9-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
28517833ChemSpider