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CHEBI:224417 - Viennamycin B

ChEBI IDCHEBI:224417
ChEBI NameViennamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC64H93N13O21
Net Charge0
Average Mass1380.518
Monoisotopic Mass1379.66090
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)/C=C\C=C\CCC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)N(C)[C@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O[C@@H]1C
InChIInChI=1S/C64H93N13O21/c1-10-35(6)52(74-58(91)41(28-45(65)78)70-46(79)23-17-12-11-14-19-33(2)3)60(93)73-40(27-38-20-15-13-16-21-38)56(89)71-42(29-50(84)85)57(90)72-43(30-51(86)87)59(92)75-53-37(8)98-64(97)44-22-18-26-77(44)62(95)36(7)68-55(88)39(24-25-49(82)83)69-48(81)32-66-47(80)31-67-61(94)54(34(4)5)76(9)63(53)96/h11-13,15-17,20-21,23,33-37,39-44,52-54H,10,14,18-19,22,24-32H2,1-9H3,(H2,65,78)(H,66,80)(H,67,94)(H,68,88)(H,69,81)(H,70,79)(H,71,89)(H,72,90)(H,73,93)(H,74,91)(H,75,92)(H,82,83)(H,84,85)(H,86,87)/b12-11+,23-17-/t35-,36-,37+,39+,40+,41-,42+,43-,44-,52-,53-,54+/m0/s1
InChIKeyAGRVSGSOQZGMAV-RKTNKWPKSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies S4.7 (ncbitaxon:2705439) - PubMed (32786880)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Viennamycin B (CHEBI:224417) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R)-3-[[(2R)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2Z,4E)-8-methylnona-2,4-dienoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-3-carboxy-1-[[(3S,6R,15R,18S,19R,22S)-6-(2-carboxyethyl)-3,16,19-trimethyl-2,5,8,11,14,17,21-heptaoxo-15-propan-2-yl-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.3.0]pentacosan-18-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid