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CHEBI:157615 - xanthoxycyclin D

ChEBI IDCHEBI:157615
ChEBI Namexanthoxycyclin D
Stars
Last Modified22 August 2023
Submittermwilliams
DownloadsMolfile
FormulaC39H61N9O10
Net Charge0
Average Mass815.970
Monoisotopic Mass815.45414
SMILESCC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC1=O
InChIInChI=1S/C39H61N9O10/c1-19(2)16-26-34(53)41-18-29(51)46-32(23(8)49)39(58)48-30(20(3)4)37(56)42-22(7)33(52)47-31(21(5)6)38(57)43-25(14-15-28(40)50)35(54)45-27(36(55)44-26)17-24-12-10-9-11-13-24/h9-13,19-23,25-27,30-32,49H,14-18H2,1-8H3,(H2,40,50)(H,41,53)(H,42,56)(H,43,57)(H,44,55)(H,45,54)(H,46,51)(H,47,52)(H,48,58)/t22-,23+,25-,26-,27-,30-,31-,32-/m0/s1
InChIKeyDSKFBUTXBARKBF-JDZLRXBFSA-N
Species of MetaboliteComponentSourceComments
Melicope xanthoxyloides (ncbitaxon:1312821) leaf (BTO:0000713) PubMed (32817170)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
xanthoxycyclin D (CHEBI:157615) is a orbitide (CHEBI:157605)
Synonyms  Source
cyclo-GTVAVQFLSUBMITTER
cyclo-(Gly-Thr-Val-Ala-Val-Gln-Phe-Leu)SUBMITTER