EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:221270 - Azotobactin delta

ChEBI IDCHEBI:221270
ChEBI NameAzotobactin delta
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H76N16O27
Net Charge0
Average Mass1393.298
Monoisotopic Mass1392.50658
SMILESCC(=O)N(O)CCC[C@@H](NC(=O)[C@H](CCO)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CCO)NC(=O)[C@@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)C1CCn2c(=O)nc3cc4cc(O)c(=O)cc-4n1c32)[C@@H](O)C(=O)O)C(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C55H76N16O27/c1-23(76)70(97)11-3-5-26(44(85)63-29-9-15-98-53(29)94)59-45(86)28(8-14-73)62-43(84)25(4-2-10-57-54(56)95)60-48(89)33(22-75)66-50(91)40(41(82)52(92)93)68-38(79)20-58-42(83)27(7-13-72)61-47(88)32(21-74)65-46(87)30(18-39(80)81)64-49(90)34-6-12-69-51-31(67-55(69)96)16-24-17-36(77)37(78)19-35(24)71(34)51/h16-17,19,25-30,32-34,40-41,72-75,77,82,97H,2-15,18,20-22H2,1H3,(H,58,83)(H,59,86)(H,60,89)(H,61,88)(H,62,84)(H,63,85)(H,64,90)(H,65,87)(H,66,91)(H,67,96)(H,68,79)(H,80,81)(H,92,93)(H3,56,57,95)/t25-,26-,27+,28+,29+,30+,32-,33+,34?,40-,41-/m1/s1
InChIKeyWGOVZMUSMHDYFQ-KUSJVTOFSA-N
Species of MetaboliteComponentSourceComments
Azotobacter (ncbitaxon:352) - DOI (10.1021/bi00408a014)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Azotobactin delta (CHEBI:221270) is a polypeptide (CHEBI:15841)