CHEBI:224412 - Viennamycin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Viennamycin A
ChEBI ID CHEBI:224412
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C63H93N13O22S
Net Charge 0
Average Mass 1416.570
Monoisotopic Mass 1415.62788
InChI InChI=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
InChIKey UUCSPZUVNMNEEZ-NUTRYBNQSA-N
SMILES S(=O)(=O)(O)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)\C=C/C=C/CCC(C)C)CC(=O)N)[C@H](CC)C)CC1=CC=CC=C1)C(=O)N[C@H](C(=O)N[C@@H]2C(=O)N([C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](C(N[C@H](C(N3[C@H](C(O[C@@H]2C)=O)CCC3)=O)C)=O)CCC(=O)O)C(C)C)C)CC(=O)O
Metabolite of Species Details
Streptomycesspecies S4.7 (NCBI:txid2705439) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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