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CHEBI:83200 - desferrialbomycin δ2

ChEBI IDCHEBI:83200
ChEBI Namedesferrialbomycin δ2
Stars
ASCII Namedesferrialbomycin delta2
DefinitionA member of the class of desferrialbomycins that is desferrialbomycin ε in which the hydrogen attached to the nitrogen at position 4 of the pyrimidone moiety is replaced by a carbamoyl group. The iron(III) complex of desferrialbomycin δ1 is the antibiotic albomycin δ2.
Last Modified1 October 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC37H60N12O18S
Net Charge0
Average Mass993.020
Monoisotopic Mass992.38692
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(=NC(N)=O)n(C)c2=O)[C@H](O)[C@H]1O
InChIInChI=1S/C37H60N12O18S/c1-17(51)47(65)12-5-8-20(38)30(57)40-21(9-6-13-48(66)18(2)52)31(58)41-22(10-7-14-49(67)19(3)53)32(59)42-23(16-50)33(60)44-25(35(61)62)26(54)29-27(55)28(56)34(68-29)46-15-11-24(43-36(39)63)45(4)37(46)64/h11,15,20-23,25-29,34,50,54-56,65-67H,5-10,12-14,16,38H2,1-4H3,(H2,39,63)(H,40,57)(H,41,58)(H,42,59)(H,44,60)(H,61,62)/t20-,21-,22-,23-,25+,26-,27+,28+,29+,34+/m0/s1
InChIKeyYXNKTOYTHKJHIU-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 δ2 (CHEBI:83200) is a desferrialbomycins (CHEBI:83198)
desferrialbomycin δ2 (CHEBI:83200) is a ureas (CHEBI:47857)
desferrialbomycin δ2 (CHEBI:83200) is conjugate acid of desferrialbomycin δ2(3−) (CHEBI:83214)
Incoming Relation(s)
desferrialbomycin δ2(3−) (CHEBI:83214) is conjugate base of desferrialbomycin δ2 (CHEBI:83200)
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)-5-[4-(carbamoylimino)-3-methyl-2-oxo-3,4-dihydropyrimidin-1(2H)-yl]-3,4-dihydroxytetrahydrothiophen-2-yl}-D-serine
Synonyms  Source
desferrialbomycin δ(2)ChEBI
deferrialbomycin δ2ChEBI
Registry NumbersSources
Reaxys:5236850Reaxys