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CHEBI:157617 - xanthoxycyclin F

ChEBI IDCHEBI:157617
ChEBI Namexanthoxycyclin F
Stars
Last Modified22 August 2023
Submittermwilliams
DownloadsMolfile
FormulaC47H74N12O10
Net Charge0
Average Mass967.183
Monoisotopic Mass966.56509
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC1=O
InChIInChI=1S/C47H74N12O10/c1-8-27(6)37-44(67)54-32(24-60)41(64)51-28(7)38(61)53-31(23-29-15-10-9-11-16-29)40(63)55-35(25(2)3)43(66)56-36(26(4)5)46(69)59-22-14-19-34(59)45(68)58-21-13-18-33(58)42(65)52-30(39(62)57-37)17-12-20-50-47(48)49/h9-11,15-16,25-28,30-37,60H,8,12-14,17-24H2,1-7H3,(H,51,64)(H,52,65)(H,53,61)(H,54,67)(H,55,63)(H,56,66)(H,57,62)(H4,48,49,50)/t27-,28-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
InChIKeyMMXQSJDNJFBVCZ-OWYYFYIDSA-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 F (CHEBI:157617) is a orbitide (CHEBI:157605)
Synonyms  Source
cyclo-AFVVPPRISSUBMITTER
cyclo-(Ala-Phe-Val-Val-Pro-Pro-Arg-Ile-Ser)SUBMITTER