CHEBI:136020 - ornipressin

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ChEBI Name ornipressin ChEBI ID CHEBI:136020 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 C45H63N13O12S2 Net Charge 0 Average Mass 1042.196 Monoisotopic Mass 1041.41606 InChI InChI=1S/C45H63N13O12S2/c46-16-4-8-28(39(64)51-21-37(50)62)53-44(69)34-9-5-17-58(34)45(70)33-23-72-71-22-27(47)38(63)54-30(19-25-10-12-26(59)13-11-25)42(67)55-31(18-24-6-2-1-3-7-24)41(66)52-29(14-15-35(48)60)40(65)56-32(20-36(49)61)43(68)57-33/h1-3,6-7,10-13,27-34,59H,4-5,8-9,14-23,46-47H2,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,66)(H,53,69)(H,54,63)(H,55,67)(H,56,65)(H,57,68)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1 InChIKey MUNMIGOEDGHVLE-LGYYRGKSSA-N SMILES [H]N[C@H]1CSSC[C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC1=O)CC2=CC=C(O)C=C2)=O)CC3=CC=CC=C3)=O)CCC(N)=O)=O)CC(N)=O)=O)C(N4CCC[C@H]4C(N[C@@H](CCCN)C(NCC(N)=O)=O)=O)=O 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 ornipressin (CHEBI:136020) is a oligopeptide (CHEBI:25676) Synonyms Sources ornithine-vasopressin DrugCentral orpressin DrugCentral Manual Xref Database 4679 DrugCentral View more database links Registry Number Type Source 3397-23-7 CAS Registry Number DrugCentral Last Modified 23 February 2017