CHEBI:78160 - bleomycin A5

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ChEBI Name bleomycin A5
ChEBI ID CHEBI:78160
ChEBI ASCII Name bleomycin A5
Definition A member of the class of bleomycins that is used in sclerotherapy for cervicofacial lymphatic malformations.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB4904315
Download Molfile XML SDF
Formula C57H89N19O21S2
Net Charge 0
Average Mass 1440.56100
Monoisotopic Mass 1439.59218
InChI InChI=1S/C57H89N19O21S2/c1-22-35(73-48(76-46(22)61)27(14-33(60)80)68-15-26(59)47(62)86)52(90)75-37(43(28-16-65-21-69-28)95-56-45(41(84)39(82)31(17-77)94-56)96-55-42(85)44(97-57(63)92)40(83)32(18-78)93-55)53(91)70-24(3)38(81)23(2)49(87)74-36(25(4)79)51(89)67-13-8-34-71-30(20-98-34)54-72-29(19-99-54)50(88)66-12-7-11-64-10-6-5-9-58/h16,19-21,23-27,31-32,36-45,55-56,64,68,77-79,81-85H,5-15,17-18,58-59H2,1-4H3,(H2,60,80)(H2,62,86)(H2,63,92)(H,65,69)(H,66,88)(H,67,89)(H,70,91)(H,74,87)(H,75,90)(H2,61,73,76)/t23-,24+,25+,26-,27-,31-,32+,36-,37-,38-,39+,40+,41-,42-,43-,44-,45-,55+,56-/m0/s1
InChIKey QYOAUOAXCQAEMW-UTXKDXHTSA-N
SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1)C(=O)NCCc1nc(cs1)-c1nc(cs1)C(=O)NCCCNCCCCN
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
chelator
A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
(via chelate-forming peptide )
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via bleomycin )
(via peptide antibiotic )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing bleomycin A5 (CHEBI:78160) has role antineoplastic agent (CHEBI:35610)
bleomycin A5 (CHEBI:78160) has role apoptosis inducer (CHEBI:68495)
bleomycin A5 (CHEBI:78160) has role bacterial metabolite (CHEBI:76969)
bleomycin A5 (CHEBI:78160) is a bleomycin (CHEBI:22907)
Synonyms Sources
Bleomycetin ChemIDplus
BLM A5 ChEBI
N1-(3-((4-Aminobutyl)amino)propyl)bleomycinamide ChemIDplus
Pingyangmycin ChemIDplus
Zhengguangmycin A5 ChemIDplus
Registry Numbers Types Sources
11116-32-8 CAS Registry Number ChemIDplus
8386869 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
28 April 2014