CHEBI:89492 - Arginine vasopressin 1-8

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ChEBI Name Arginine vasopressin 1-8 ChEBI ID CHEBI:89492 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C44H61N13O12S2 Net Charge 0 Average Mass 1028.169 Monoisotopic Mass 1027.40041 InChI InChI=1S/C44H61N13O12S2/c45-26-21-70-71-22-32(42(67)57-17-5-9-33(57)41(66)52-28(43(68)69)8-4-16-50-44(48)49)56-40(65)31(20-35(47)60)55-37(62)27(14-15-34(46)59)51-38(63)30(18-23-6-2-1-3-7-23)54-39(64)29(53-36(26)61)19-24-10-12-25(58)13-11-24/h1-3,6-7,10-13,26-33,58H,4-5,8-9,14-22,45H2,(H2,46,59)(H2,47,60)(H,51,63)(H,52,66)(H,53,61)(H,54,64)(H,55,62)(H,56,65)(H,68,69)(H4,48,49,50)/t26?,27-,28-,29-,30-,31?,32+,33-/m1/s1 InChIKey SXYIOPJBWYQZRQ-VMPYSSHJSA-N SMILES C1=CC=C(C=C1)C[C@@H]2C(N[C@H](CCC(=N)O)C(NC(CC(=N)O)C(N[C@@H](CSSCC(N)C(N[C@H](CC3=CC=C(C=C3)O)C(N2)=O)=O)C(=O)N4CCC[C@@H]4C(=O)N[C@H](CCCNC(N)=N)C(O)=O)=O)=O)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in cerebrospinal fluid (UBERON:0001359). See: PubMed 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 Arginine vasopressin 1-8 (CHEBI:89492) is a cyclic peptide (CHEBI:23449) Synonyms Sources (2R)-2-{[(2R)-1-{[(4R,10R,13R,16R)-19-amino-13-benzyl-10-[2-(C-hydroxycarbonimidoyl)ethyl]-7-(C-hydroxycarbonimidoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid HMDB Cys-Tyr-Phe-Gln-Asn-Cys-Pro-Arg HMDB Cys-Tyr-Phe-Gln-Asn-Cys-Pro-Arg [Disulfide Bridge: 1-6] HMDB Des-Gly-NH(,2)('9),[Arg('8)]-Vasopressin HMDB Manual Xref Database HMDB0012895 HMDB View more database links Registry Number Type Source 37552-33-3 CAS Registry Number KEGG COMPOUND Citation Type Source 9861478 PubMed citation Europe PMC