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CHEBI:224412 - Viennamycin A

ChEBI IDCHEBI:224412
ChEBI NameViennamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H93N13O22S
Net Charge0
Average Mass1416.573
Monoisotopic Mass1415.62788
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](CS(=O)(=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/C63H93N13O22S/c1-10-35(6)51(73-56(87)41(28-45(64)77)69-46(78)23-17-12-11-14-19-33(2)3)59(90)71-40(27-38-20-15-13-16-21-38)55(86)72-43(32-99(95,96)97)58(89)70-42(29-50(83)84)57(88)74-52-37(8)98-63(94)44-22-18-26-76(44)61(92)36(7)67-54(85)39(24-25-49(81)82)68-48(80)31-65-47(79)30-66-60(91)53(34(4)5)75(9)62(52)93/h11-13,15-17,20-21,23,33-37,39-44,51-53H,10,14,18-19,22,24-32H2,1-9H3,(H2,64,77)(H,65,79)(H,66,91)(H,67,85)(H,68,80)(H,69,78)(H,70,89)(H,71,90)(H,72,86)(H,73,87)(H,74,88)(H,81,82)(H,83,84)(H,95,96,97)/b12-11+,23-17-/t35-,36-,37+,39+,40+,41-,42-,43+,44-,51-,52-,53+/m0/s1
InChIKeyUUCSPZUVNMNEEZ-NUTRYBNQSA-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 A (CHEBI:224412) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S)-3-[[(2S)-2-[[(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]-3-sulopropanoyl]amino]-4-[[(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]-4-oxobutanoic acid