CHEBI:220143 - Variobactin B

ChEBI IDCHEBI:220143
ChEBI NameVariobactin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H79N11O17
Net Charge0
Average Mass1046.187
Monoisotopic Mass1045.56554
SMILESCCCCCCCCCC(=O)NC(CCCN(O)C(C)=O)C1OC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CCCNC(N)=O)NC(=O)C(CCCN)NC(=O)C(CO)NC(=O)C(C(O)C(=O)O)NC(=O)C1C
InChIInChI=1S/C45H79N11O17/c1-5-6-7-8-9-10-11-20-34(60)49-29(18-14-23-55(71)27(3)58)37-26(2)38(62)54-35(36(61)43(67)68)42(66)53-33(25-57)41(65)51-30(16-12-21-46)39(63)50-31(17-13-22-48-45(47)70)40(64)52-32(44(69)73-37)19-15-24-56(72)28(4)59/h26,29-33,35-37,57,61,71-72H,5-25,46H2,1-4H3,(H,49,60)(H,50,63)(H,51,65)(H,52,64)(H,53,66)(H,54,62)(H,67,68)(H3,47,48,70)
InChIKeyVZLKLSFDPFHEHA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Variovorax paradoxus S110 (ncbitaxon:543728) - PubMed (26412281)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Variobactin B (CHEBI:220143) is a cyclodepsipeptide (CHEBI:35213)