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CHEBI:219979 - Turnerbactin

ChEBI IDCHEBI:219979
ChEBI NameTurnerbactin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H59N9O19
Net Charge0
Average Mass1030.011
Monoisotopic Mass1029.39272
SMILESNCCC[C@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](COC(=O)[C@H](COC(=O)[C@H](CO)NC(=O)[C@H](CCCN)NC(=O)c1cccc(O)c1O)NC(=O)[C@H](CCCN)NC(=O)c1cccc(O)c1O)C(=O)O
InChIInChI=1S/C45H59N9O19/c46-16-4-10-25(49-37(62)22-7-1-13-31(56)34(22)59)40(65)52-28(19-55)44(70)73-21-30(54-42(67)27(12-6-18-48)51-39(64)24-9-3-15-33(58)36(24)61)45(71)72-20-29(43(68)69)53-41(66)26(11-5-17-47)50-38(63)23-8-2-14-32(57)35(23)60/h1-3,7-9,13-15,25-30,55-61H,4-6,10-12,16-21,46-48H2,(H,49,62)(H,50,63)(H,51,64)(H,52,65)(H,53,66)(H,54,67)(H,68,69)/t25-,26-,27-,28-,29-,30-/m0/s1
InChIKeyOJOBFUKLEWNEOR-WPMUBMLPSA-N
Species of MetaboliteComponentSourceComments
Teredinibacter turnerae T7901 (ncbitaxon:377629) - PubMed (24146831)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Turnerbactin (CHEBI:219979) is a depsipeptide (CHEBI:23643)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-[(2S)-2-[[(2S)-5-amino-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-[(2S)-2-[[(2S)-5-amino-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-hydroxypropanoyl]oxypropanoyl]oxypropanoic acid
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