CHEBI:190009 - himastatin

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ChEBI Name himastatin
ChEBI ID CHEBI:190009
Definition A dimeric cyclohexadepsipeptide with formula C72H104N14O20. It is an antibiotic isolated from Streptomyces hygroscopicus and exhibits antitumor and antibacterial activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C72H104N14O20
Net Charge 0
Average Mass 1485.702
Monoisotopic Mass 1484.75513
InChI InChI=1S/C72H104N14O20/c1-29(2)19-45-57(91)81-53(35(13)87)63(97)83-49(61(95)79-51(31(5)6)67(101)105-55(33(9)10)65(99)85-47(59(93)75-45)23-39(89)27-73-85)25-71(103)41-21-37(15-17-43(41)77-69(71)83)38-16-18-44-42(22-38)72(104)26-50-62(96)80-52(32(7)8)68(102)106-56(34(11)12)66(100)86-48(24-40(90)28-74-86)60(94)76-46(20-30(3)4)58(92)82-54(36(14)88)64(98)84(50)70(72)78-44/h15-18,21-22,29-36,39-40,45-56,69-70,73-74,77-78,87-90,103-104H,19-20,23-28H2,1-14H3,(H,75,93)(H,76,94)(H,79,95)(H,80,96)(H,81,91)(H,82,92)/t35-,36-,39+,40+,45-,46-,47+,48+,49-,50-,51+,52+,53+,54+,55-,56-,69-,70-,71+,72+/m0/s1
InChIKey OZPNLJQULOIOGU-UPABGHPRSA-N
SMILES [H]C12NC3=CC=C(C=C3C1(O)CC1N2C(=O)C(NC(=O)C(CC(C)C)NC(=O)C2CC(O)CNN2C(=O)C(OC(=O)C(NC1=O)C(C)C)C(C)C)C(C)O)C1=CC=C2NC3([H])N4C(CC3(O)C2=C1)C(=O)NC(C(C)C)C(=O)OC(C(C)C)C(=O)N1NCC(O)CC1C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C4=O
Metabolite of Species Details
Streptomyces himastatinicus ATCC 53653 (NCBI:txid457427) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(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 himastatin (CHEBI:190009) has role antibacterial agent (CHEBI:33282)
himastatin (CHEBI:190009) has role antineoplastic agent (CHEBI:35610)
himastatin (CHEBI:190009) has role bacterial metabolite (CHEBI:76969)
himastatin (CHEBI:190009) is a cyclodepsipeptide (CHEBI:35213)
himastatin (CHEBI:190009) is a macrocycle (CHEBI:51026)
himastatin (CHEBI:190009) is a peptide antibiotic (CHEBI:25903)
IUPAC Name
(3R,3'R,4aR,4a'R,7S,7'S,10R,10'R,12aS,12a'S,17bR,17b'R,18aS,18a'S,21R,21'R,24S,24'S)-3,3',17b,17b'-tetrahydroxy-10,10'-bis[(1S)-1-hydroxyethyl]-7,7'-bis(2-methylpropyl)-21,21',24,24'-tetra(propan-2-yl)-2,2',3,3',4,4',4a,4a',6,6',7,7',9,9',10,10',13,13',17b,17b',18,18',18a,18a',20,20',21,21'-octacosahydro-12aH,12a'H-[16,16'-bipyridazino[6'',1'':15',16'][1,4,7,10,13,16]oxapentaazacyclooctadecino[7',6':1,5]pyrrolo[2,3-b]indole]-5,5',8,8',11,11',19,19',22,22',25,25'(1H,1'H,24H,24'H)-dodecone
Synonyms Sources
antibiotic BMY 40800 ChemIDplus
BMY 40800 ChEBI
BMY-40800 ChEBI
BMY40800 ChEBI
Manual Xrefs Databases
8031048 ChemSpider
C00028345 KNApSAcK
EP0329109 Patent
US5036010 Patent
View more database links
Registry Number Type Source
126775-74-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11205026 PubMed citation Europe PMC
21726028 PubMed citation Europe PMC
2211362 PubMed citation Europe PMC
2211363 PubMed citation Europe PMC
23611984 PubMed citation Europe PMC
28687492 PubMed citation Europe PMC
29711127 PubMed citation Europe PMC
29711142 PubMed citation Europe PMC
30671346 PubMed citation Europe PMC
35201871 PubMed citation Europe PMC
35201890 PubMed citation Europe PMC
7872760 PubMed citation Europe PMC
8626248 PubMed citation Europe PMC
Last Modified
01 марта 2022