CHEBI:135903 - eledoisin

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ChEBI Name eledoisin ChEBI ID CHEBI:135903 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 C54H85N13O15S Net Charge 0 Average Mass 1188.399 Monoisotopic Mass 1187.60088 InChI InChI=1S/C54H85N13O15S/c1-7-30(4)44(53(81)57-27-42(70)60-36(24-29(2)3)49(77)61-33(45(56)73)20-23-83-6)66-50(78)37(25-32-14-9-8-10-15-32)63-46(74)31(5)58-48(76)38(26-43(71)72)64-47(75)34(16-11-12-21-55)62-51(79)39(28-68)65-52(80)40-17-13-22-67(40)54(82)35-18-19-41(69)59-35/h8-10,14-15,29-31,33-40,44,68H,7,11-13,16-28,55H2,1-6H3,(H2,56,73)(H,57,81)(H,58,76)(H,59,69)(H,60,70)(H,61,77)(H,62,79)(H,63,74)(H,64,75)(H,65,80)(H,66,78)(H,71,72)/t30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,44-/m0/s1 InChIKey AYLPVIWBPZMVSH-FCKMLYJASA-N SMILES C(N1CCC[C@H]1C(N[C@@H](CO)C(N[C@@H](CCCCN)C(N[C@@H](CC(O)=O)C(N[C@@H](C)C(N[C@@H](CC2=CC=CC=C2)C(N[C@@H]([C@H](CC)C)C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CCSC)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)(=O)[C@H]3NC(CC3)=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 eledoisin (CHEBI:135903) is a peptide (CHEBI:16670) Synonyms Sources ELD 950 DrugCentral ELD-950 DrugCentral eledoisin trifluoroacetate DrugCentral eledone peptide DrugCentral Manual Xref Database 2955 DrugCentral View more database links Registry Number Type Source 69-25-0 CAS Registry Number DrugCentral Last Modified 23 February 2017