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CHEBI:209427 - Cordyheptapeptide D

ChEBI IDCHEBI:209427
ChEBI NameCordyheptapeptide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H63N7O9
Net Charge0
Average Mass882.072
Monoisotopic Mass881.46873
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](Cc2ccc(O)cc2)N(C)C1=O
InChIInChI=1S/C48H63N7O9/c1-29(2)24-36-45(61)54(7)40(27-33-17-21-35(57)22-18-33)48(64)55-23-11-14-38(55)47(63)52(5)28-41(58)49-37(25-31-12-9-8-10-13-31)46(62)53(6)39(26-32-15-19-34(56)20-16-32)43(59)51-42(30(3)4)44(60)50-36/h8-10,12-13,15-22,29-30,36-40,42,56-57H,11,14,23-28H2,1-7H3,(H,49,58)(H,50,60)(H,51,59)/t36-,37-,38-,39-,40+,42-/m0/s1
InChIKeyTVUQOKHAWVQQCR-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 D (CHEBI:209427) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3R,6S,9S,12S,15S,21S)-15-benzyl-3,12-bis[(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
28517834ChemSpider