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CHEBI:213091 - Balticidin D

ChEBI IDCHEBI:213091
ChEBI NameBalticidin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC75H119N11O35
Net Charge0
Average Mass1734.819
Monoisotopic Mass1733.78700
SMILESC/C=C1\NC(=O)C(C(O)c2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(O)C(CCCCCCCCCCCCC)O[C@@H]2OC[C@@H](O)[C@@H](O[C@H]3O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)C(C)O)C(C)OC(=O)[C@@H](CCC(N)=O)NC(=O)C(C(C)O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)N(C)C(=O)CNC(=O)[C@H](CCC(N)=O)NC1=O
InChIInChI=1S/C75H119N11O35/c1-8-10-11-12-13-14-15-16-17-18-19-20-42(118-73-60(103)61(41(91)31-115-73)120-75-59(102)56(99)57(100)62(121-75)71(112)113)54(97)70(111)83-48(33(4)89)65(106)84-49-34(5)116-72(114)40(26-28-45(77)93)81-69(110)51(35(6)117-74-58(101)55(98)53(96)43(30-87)119-74)86(7)46(94)29-78-63(104)39(25-27-44(76)92)80-64(105)38(9-2)79-68(109)50(52(95)36-21-23-37(90)24-22-36)85-66(107)47(32(3)88)82-67(49)108/h9,21-24,32-35,39-43,47-62,73-75,87-91,95-103H,8,10-20,25-31H2,1-7H3,(H2,76,92)(H2,77,93)(H,78,104)(H,79,109)(H,80,105)(H,81,110)(H,82,108)(H,83,111)(H,84,106)(H,85,107)(H,112,113)/b38-9-/t32?,33?,34?,35?,39-,40+,41+,42?,43-,47?,48?,49?,50?,51?,52?,53-,54?,55+,56+,57-,58+,59-,60-,61+,62+,73-,74-,75-/m0/s1
InChIKeySVWZKSCWSWYLPR-GGBPWVLZSA-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 D (CHEBI:213091) is a cyclodepsipeptide (CHEBI:35213)
Balticidin D (CHEBI:213091) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3S,4R,5S,6S)-6-[(2S,3S,4R,5R)-2-[1-[[1-[[(3R,12S,15Z)-3,12-bis(3-amino-3-oxopropyl)-15-ethylidene-21-(1-hydroxyethyl)-18-[hydroxy-(4-hydroxyphenyl)methyl]-7,25-dimethyl-2,5,8,11,14,17,20,23-octaoxo-6-[1-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-hydroxy-1-oxohexadecan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid