CHEBI:204876 - Antagonistic factor

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Antagonistic factor
ChEBI ID CHEBI:204876
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C56H97N15O14
Net Charge 0
Average Mass 1204.483
Monoisotopic Mass 1203.73394
InChI InChI=1S/C56H97N15O14/c1-7-32(4)13-11-12-16-44(74)63-36(17-23-57)50(78)71-46(34(6)73)55(83)67-38(19-25-59)47(75)65-40-22-28-62-54(82)45(33(5)72)70-51(79)39(20-26-60)66-53(81)43(21-27-61)85-56(84)42(29-31(2)3)69-52(80)41(30-35-14-9-8-10-15-35)68-48(76)37(18-24-58)64-49(40)77/h8-10,14-15,31-34,36-43,45-46,72-73H,7,11-13,16-30,57-61H2,1-6H3,(H,62,82)(H,63,74)(H,64,77)(H,65,75)(H,66,81)(H,67,83)(H,68,76)(H,69,80)(H,70,79)(H,71,78)/t32?,33-,34-,36+,37+,38+,39+,40+,41-,42+,43+,45+,46+/m1/s1
InChIKey XQSWLVKQKZHBSA-BBZQIQDCSA-N
SMILES O=C1O[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CC(C)C)=O)CC2=CC=CC=C2)=O)CCN)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCC(CC)C)CCN)[C@H](O)C)CCN)[C@H](O)C)CCN)CCN
Metabolite of Species Details
Paenibacillusspecies (NCBI:txid58172) 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Antagonistic factor (CHEBI:204876) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6R,9S,12S,17S,20S,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-[(1R)-1-hydroxyethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1-oxa-4,7,10,15,18,21-hexazacyclotricos-12-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide
Manual Xref Database
78442595 ChemSpider
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