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CHEBI:157614 - xanthoxycyclin C

ChEBI IDCHEBI:157614
ChEBI Namexanthoxycyclin C
Stars
Last Modified22 August 2023
Submittermwilliams
DownloadsMolfile
FormulaC48H61N9O9
Net Charge0
Average Mass908.070
Monoisotopic Mass907.45922
SMILESC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C48H61N9O9/c1-30-47(65)56-24-10-17-39(56)46(64)55-38(28-32-14-6-3-7-15-32)48(66)57-25-11-18-40(57)45(63)54-37(26-31-12-4-2-5-13-31)44(62)53-35(16-8-9-23-49)42(60)50-29-41(59)52-36(43(61)51-30)27-33-19-21-34(58)22-20-33/h2-7,12-15,19-22,30,35-40,58H,8-11,16-18,23-29,49H2,1H3,(H,50,60)(H,51,61)(H,52,59)(H,53,62)(H,54,63)(H,55,64)/t30-,35-,36-,37-,38-,39-,40-/m0/s1
InChIKeyZPLJGFXQHTZYOD-GCFINZEGSA-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 C (CHEBI:157614) is a orbitide (CHEBI:157605)
Synonyms  Source
cyclo-GYAPFPFKSUBMITTER
cyclo-(Gly-Tyr-Ala-Pro-Phe-Pro-Phe-Lys)SUBMITTER