CHEBI:230676 - Tyr(Me)AVP

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tyr(Me)AVP
ChEBI ID CHEBI:230676
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C47H67N15O12S2
Net Charge 0
Average Mass 1098.270
Monoisotopic Mass 1097.45351
InChI InChI=1S/C47H67N15O12S2/c1-74-27-13-11-26(12-14-27)20-31-43(70)59-32(19-25-7-3-2-4-8-25)42(69)56-30(15-16-36(49)63)41(68)60-33(21-37(50)64)44(71)61-34(24-76-75-23-28(48)39(66)58-31)46(73)62-18-6-10-35(62)45(72)57-29(9-5-17-54-47(52)53)40(67)55-22-38(51)65/h2-4,7-8,11-14,28-35H,5-6,9-10,15-24,48H2,1H3,(H2,49,63)(H2,50,64)(H2,51,65)(H,55,67)(H,56,69)(H,57,72)(H,58,66)(H,59,70)(H,60,68)(H,61,71)(H4,52,53,54)
InChIKey SBEJNRRJIUNGOZ-UHFFFAOYSA-N
SMILES S1SCC(N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(CCC2)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)C1)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(OC)C=C4
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Tyr(Me)AVP (CHEBI:230676) is a cyclic peptide (CHEBI:23449)
IUPAC Name
1-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-methoxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Manual Xref Database
HMDB0259349 HMDB
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