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CHEBI:210007 - Pseudoalterobactin A

ChEBI IDCHEBI:210007
ChEBI NamePseudoalterobactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H63N11O21S
Net Charge0
Average Mass1078.078
Monoisotopic Mass1077.39207
SMILESNCCCCC1NC(=O)C(NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)CC(O)C(N)CCCCNC(=O)c2ccc(S(=O)(=O)O)c(O)c2O)C(O)C(=O)O)CCCCNC(=O)CNC(=O)C(C(O)C(=O)O)NC1=O
InChIInChI=1S/C41H63N11O21S/c42-12-4-1-8-21-36(63)51-28(32(59)40(67)68)38(65)47-17-27(56)45-13-6-3-9-20(35(62)49-21)50-39(66)29(33(60)41(69)70)52-37(64)22(15-25(44)54)48-26(55)16-23(53)19(43)7-2-5-14-46-34(61)18-10-11-24(74(71,72)73)31(58)30(18)57/h10-11,19-23,28-29,32-33,53,57-60H,1-9,12-17,42-43H2,(H2,44,54)(H,45,56)(H,46,61)(H,47,65)(H,48,55)(H,49,62)(H,50,66)(H,51,63)(H,52,64)(H,67,68)(H,69,70)(H,71,72,73)
InChIKeyULYRNACUAOJJBY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonas (ncbitaxon:53246) - PubMed (14700282)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pseudoalterobactin A (CHEBI:210007) is a peptide (CHEBI:16670)
IUPAC Name 
3-[[4-amino-2-[[4-amino-8-[(2,3-dihydroxy-4-sulobenzoyl)amino]-3-hydroxyoctanoyl]amino]-4-oxobutanoyl]amino]-4-[[9-(4-aminobutyl)-6-[carboxy(hydroxy)methyl]-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohexadec-12-yl]amino]-2-hydroxy-4-oxobutanoic acid
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