EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:3252 - C-1027 chromophore

ChEBI IDCHEBI:3252
ChEBI NameC-1027 chromophore
Stars
DefinitionAn enediyne antibiotic that has formula C43H42ClN3O13. It is a natural product found in Streptomyces globisporus and exhibits antimicrobial and antineoplastic properties.
Secondary ChEBI IDCHEBI:68320
Last Modified12 January 2022
DownloadsMolfile
FormulaC43H42ClN3O13
Net Charge0
Average Mass844.270
Monoisotopic Mass843.24062
SMILES[H][C@@]1(O[C@]23C=CC=C2C#C/C2=C\C#C[C@@]3([H])Oc3c(O)cc(cc3Cl)[C@@H](N)CC(=O)OC[C@@H]2OC(=O)c2cc(OC)cc3c2NC(=O)C(=C)O3)OC(C)(C)[C@@H](N(C)C)[C@@H](O)[C@H]1O
InChIInChI=1S/C43H42ClN3O13/c1-21-39(52)46-34-26(17-25(54-6)18-30(34)56-21)40(53)57-31-20-55-33(49)19-28(45)23-15-27(44)37(29(48)16-23)58-32-11-7-9-22(31)12-13-24-10-8-14-43(24,32)60-41-36(51)35(50)38(47(4)5)42(2,3)59-41/h8-10,14-18,28,31-32,35-36,38,41,48,50-51H,1,19-20,45H2,2-6H3,(H,46,52)/b22-9+/t28-,31-,32+,35-,36+,38-,41-,43+/m0/s1
InChIKeyDGGZCXUXASNDAC-QQNGCVSVSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Streptomyces globisporus (ncbitaxon:1908)
- PubMed (21250756)
- PubMed (21250756) Strain: SB 1021
- PubMed (21250756) Strain: SB 1014
- PubMed (21250756) Strain: SB 1023
- PubMed (21250756) Strain: SB 1022
Streptomyces globisporus C-1027 (ncbitaxon:1172567) - PubMed (3198491)
Streptomyces sp. CB00657 (ncbitaxon:1718958) - PubMed (29345939)
Streptomyces sp. CB03608 (ncbitaxon:1718988) - PubMed (29345939)
Streptomyces sp. CB02329 (ncbitaxon:171897) - PubMed (29345939)
Streptomyces sp. CB02366 (ncbitaxon:1703935) - PubMed (29345939)
Roles Classification
Biological Roles:
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.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
C-1027 chromophore (CHEBI:3252) has role antimicrobial agent (CHEBI:33281)
C-1027 chromophore (CHEBI:3252) has role antineoplastic agent (CHEBI:35610)
C-1027 chromophore (CHEBI:3252) has role apoptosis inducer (CHEBI:68495)
C-1027 chromophore (CHEBI:3252) has role bacterial metabolite (CHEBI:76969)
C-1027 chromophore (CHEBI:3252) is a amino sugar (CHEBI:28963)
C-1027 chromophore (CHEBI:3252) is a aromatic ether (CHEBI:35618)
C-1027 chromophore (CHEBI:3252) is a benzoxazine (CHEBI:46969)
C-1027 chromophore (CHEBI:3252) is a diester (CHEBI:51307)
C-1027 chromophore (CHEBI:3252) is a enediyne antibiotic (CHEBI:53268)
C-1027 chromophore (CHEBI:3252) is a monochlorobenzenes (CHEBI:83403)
C-1027 chromophore (CHEBI:3252) is a phenols (CHEBI:33853)
IUPAC Name 
[1R,7S,12R,13(23)E,20R]-7-amino-4-chloro-20-{[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-25-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.23,6.016,20]pentacosa-3,5,13(23),16,18,24-hexaene-14,21-diyn-12-yl 7-methoxy-2-methylidene-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylate
Synonyms  Source
C-1027 chromophoreKEGG COMPOUND
C-1027KEGG COMPOUND
C 1027ChemIDplus
C1027 chromophoreChemIDplus
lidamycinChemIDplus
C1027 chromoproteinChemIDplus
Manual XrefsDatabases
C11438KEGG COMPOUND
C-1027Wikipedia
US7109019Patent
8138248ChemSpider
Registry NumbersSources
CAS:120177-69-7ChemIDplus
Citations