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CHEBI:83199 - desferrialbomycin δ1

ChEBI IDCHEBI:83199
ChEBI Namedesferrialbomycin δ1
Stars
ASCII Namedesferrialbomycin delta1
DefinitionA member of the class of desferrialbomycins in which the pyrimidone moiety is substituted by an oxo group at position 4. The iron(III) complex of desferrialbomycin δ1 is the antibiotic albomycin δ1.
Last Modified1 October 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H58N10O18S
Net Charge0
Average Mass950.979
Monoisotopic Mass950.36513
SMILES[H][C@]1([C@@H](O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@@H](N)CCCN(O)C(C)=O)C(=O)O)S[C@@]([H])(n2ccc(=O)n(C)c2=O)[C@H](O)[C@H]1O
InChIInChI=1S/C36H58N10O18S/c1-17(48)44(62)12-5-8-20(37)30(55)38-21(9-6-13-45(63)18(2)49)31(56)39-22(10-7-14-46(64)19(3)50)32(57)40-23(16-47)33(58)41-25(35(59)60)26(52)29-27(53)28(54)34(65-29)43-15-11-24(51)42(4)36(43)61/h11,15,20-23,25-29,34,47,52-54,62-64H,5-10,12-14,16,37H2,1-4H3,(H,38,55)(H,39,56)(H,40,57)(H,41,58)(H,59,60)/t20-,21-,22-,23-,25+,26-,27+,28+,29+,34+/m0/s1
InChIKeyCNKXFPHRGCBCDZ-RREKCFDTSA-N
Roles Classification
Chemical Roles:
siderophore  Any of low-molecular-mass iron(III)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
siderophore  Any of low-molecular-mass iron(III)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron.
ChEBI Ontology
Outgoing Relation(s)
desferrialbomycin δ1 (CHEBI:83199) is a desferrialbomycins (CHEBI:83198)
desferrialbomycin δ1 (CHEBI:83199) is conjugate acid of desferrialbomycin δ1(3−) (CHEBI:83204)
Incoming Relation(s)
desferrialbomycin δ1(3−) (CHEBI:83204) is conjugate base of desferrialbomycin δ1 (CHEBI:83199)
IUPAC Name 
N5-acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithyl-L-seryl-(3S)-3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrothiophen-2-yl]-D-serine
Synonym  Source
deferrialbomycin δ1ChEBI
Registry NumbersSources
Reaxys:877505Reaxys