EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219237 - Anantin B2

ChEBI IDCHEBI:219237
ChEBI NameAnantin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC79H100N20O21
Net Charge0
Average Mass1665.788
Monoisotopic Mass1664.73719
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](Cc2cncn2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)CNC1=O
InChIInChI=1S/C79H100N20O21/c1-5-42(3)68-78(119)88-38-66(108)91-55(28-47-32-82-51-20-14-13-19-50(47)51)71(112)87-37-65(107)93-57(30-60(80)102)75(116)95-58(31-61(103)83-35-63(105)90-53(76(117)98-68)26-45-17-11-8-12-18-45)77(118)99-69(43(4)6-2)79(120)96-52(25-44-15-9-7-10-16-44)70(111)86-36-64(106)92-56(29-48-33-81-41-89-48)74(115)94-54(27-46-21-23-49(101)24-22-46)73(114)97-59(40-100)72(113)85-34-62(104)84-39-67(109)110/h7-24,32-33,41-43,52-59,68-69,82,100-101H,5-6,25-31,34-40H2,1-4H3,(H2,80,102)(H,81,89)(H,83,103)(H,84,104)(H,85,113)(H,86,111)(H,87,112)(H,88,119)(H,90,105)(H,91,108)(H,92,106)(H,93,107)(H,94,115)(H,95,116)(H,96,120)(H,97,114)(H,98,117)(H,99,118)(H,109,110)/t42-,43-,52-,53-,54-,55-,56-,57-,58-,59-,68-,69-/m0/s1
InChIKeyKAPDWNVKXTVBBX-BPQGHQGNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28244986)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Anantin B2 (CHEBI:219237) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[[(5S,8S,14S,20S,23S)-5-benzyl-8-[(2S)-butan-2-yl]-3,6,9,12,15,18,21,25-octahydroxy-20-(2-hydroxy-2-iminoethyl)-14-(1H-indol-3-ylmethyl)-1,4,7,10,13,16,19,22-octazacyclopentacosa-3,6,9,12,15,18,21,25-octaen-23-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxyethylidene]amino]acetic acid