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CHEBI:750552 - avorelin

Default Structure
ChEBI IDCHEBI:750552
ChEBI Nameavorelin
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC65H85N17O12
Net Charge0
Average Mass1296.502
Monoisotopic Mass1295.65636
SMILESCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c(C)nc2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C65H85N17O12/c1-5-69-63(93)54-17-11-25-82(54)64(94)47(16-10-24-70-65(66)67)75-57(87)48(26-35(2)3)76-61(91)52(30-43-36(4)73-45-15-9-7-13-42(43)45)80-58(88)49(27-37-18-20-40(84)21-19-37)77-62(92)53(33-83)81-59(89)50(28-38-31-71-44-14-8-6-12-41(38)44)78-60(90)51(29-39-32-68-34-72-39)79-56(86)46-22-23-55(85)74-46/h6-9,12-15,18-21,31-32,34-35,46-54,71,73,83-84H,5,10-11,16-17,22-30,33H2,1-4H3,(H,68,72)(H,69,93)(H,74,85)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,86)(H,80,88)(H,81,89)(H4,66,67,70)/t46-,47-,48-,49-,50-,51-,52+,53-,54-/m0/s1
InChIKeyHJNZCKLMRAOTMA-BRBGIFQRSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
avorelin (CHEBI:750552) is a polypeptide (CHEBI:15841)
INNs  Source
avorelinWHO MedNet
avorelinaWHO MedNet
avorelineWHO MedNet
Synonyms  Source
EP-23904ChEMBL
MeterelinChEMBL
MF-6001ChEMBL