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CHEBI:213073 - Balticidin A

ChEBI IDCHEBI:213073
ChEBI NameBalticidin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC75H120ClN11O36
Net Charge0
Average Mass1787.279
Monoisotopic Mass1785.75860
SMILESC/C=C(\NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(O)C(CCCCCCCCCC(Cl)CCC)O[C@@H]1OC[C@@H](O)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O)C(C)O)C(C)O)C(C)O)C(O)c1ccc(O)cc1)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)N(C)C(C(=O)NC(CCC(N)=O)C(=O)O)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C75H120ClN11O36/c1-8-17-36(76)18-15-13-11-10-12-14-16-19-42(120-73-60(105)61(41(93)30-118-73)122-75-59(104)56(101)57(102)62(123-75)72(116)117)54(99)70(113)85-49(33(5)91)66(109)83-47(31(3)89)65(108)84-48(32(4)90)67(110)86-50(52(97)35-20-22-37(92)23-21-35)68(111)80-38(9-2)64(107)81-39(24-26-44(77)94)63(106)79-28-46(96)87(7)51(69(112)82-40(71(114)115)25-27-45(78)95)34(6)119-74-58(103)55(100)53(98)43(29-88)121-74/h9,20-23,31-34,36,39-43,47-62,73-75,88-93,97-105H,8,10-19,24-30H2,1-7H3,(H2,77,94)(H2,78,95)(H,79,106)(H,80,111)(H,81,107)(H,82,112)(H,83,109)(H,84,108)(H,85,113)(H,86,110)(H,114,115)(H,116,117)/b38-9-/t31?,32?,33?,34?,36?,39?,40?,41-,42?,43-,47?,48?,49?,50?,51?,52?,53-,54?,55+,56+,57-,58+,59-,60+,61-,62+,73+,74-,75-/m1/s1
InChIKeyMZBSSWIGTROORG-KYMJDTGUSA-N
Species of MetaboliteComponentSourceComments
Anabaena cylindrica Bio33 (ncbitaxon:1271753) - PubMed (24937366)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Balticidin A (CHEBI:213073) is a peptide (CHEBI:16670)
IUPAC Name 
(2S,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-2-[1-[[1-[[1-[[1-[[1-[[(Z)-1-[[5-amino-1-[[2-[[1-[(4-amino-1-carboxy-4-oxobutyl)amino]-1-oxo-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-3-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-13-chloro-2-hydroxy-1-oxohexadecan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid