CHEBI:31324 - Buserelin acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Buserelin acetate
ChEBI ID CHEBI:31324
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C60H86N16O13.C2H4O2
Net Charge 0
Average Mass 1299.479
Monoisotopic Mass 1298.67716
InChI InChI=1S/C60H86N16O13.C2H4O2/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40;1-2(3)4/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65);1H3,(H,3,4)/t40-,41-,42-,43-,44-,45-,46-,47+,48-;/m0./s1
InChIKey PYMDEDHDQYLBRT-DRIHCAFSSA-N
SMILES CC(O)=O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
ChEBI Ontology
Outgoing Buserelin acetate (CHEBI:31324) is a organic molecular entity (CHEBI:50860)
Synonym Source
Buserelin acetate KEGG COMPOUND
Manual Xrefs Databases
C13301 KEGG COMPOUND
D01831 KEGG DRUG
View more database links
Registry Number Type Source
68630-75-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014