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CHEBI:81455 - Deltorphin A

ChEBI IDCHEBI:81455
ChEBI NameDeltorphin A
Stars
DownloadsMolfile
FormulaC44H62N10O10S2
Net Charge0
Average Mass955.174
Monoisotopic Mass954.40918
SMILESCSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cncn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(N)=O
InChIInChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31+,32-,33-,34-,35-,36-/m0/s1
InChIKeyBHSURCCZOBVHJJ-NWOHMYAQSA-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)
Deltorphin A (CHEBI:81455) is a peptide (CHEBI:16670)
Manual XrefsDatabases
C18010KEGG COMPOUND
Registry NumbersSources
CAS:119975-64-3KEGG COMPOUND