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CHEBI:219307 - Tensin

ChEBI IDCHEBI:219307
ChEBI NameTensin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC67H116N12O20
Net Charge0
Average Mass1409.729
Monoisotopic Mass1408.84288
SMILESCCCCCCC[C@H](O)CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)O[C@@H]1C
InChIInChI=1S/C67H116N12O20/c1-15-17-18-19-20-21-41(81)31-52(83)69-44(26-34(3)4)58(89)75-49(32-54(86)87)63(94)79-56-40(14)99-67(98)43(23-25-53(84)85)71-65(96)55(39(13)16-2)78-62(93)48(30-38(11)12)72-57(88)42(22-24-51(68)82)70-59(90)45(27-35(5)6)74-64(95)50(33-80)77-61(92)46(28-36(7)8)73-60(91)47(29-37(9)10)76-66(56)97/h34-50,55-56,80-81H,15-33H2,1-14H3,(H2,68,82)(H,69,83)(H,70,90)(H,71,96)(H,72,88)(H,73,91)(H,74,95)(H,75,89)(H,76,97)(H,77,92)(H,78,93)(H,79,94)(H,84,85)(H,86,87)/t39-,40+,41-,42+,43-,44+,45-,46+,47+,48-,49+,50+,55-,56+/m0/s1
InChIKeyXUHRVZXFBWDCFB-QRTDKPMLSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (10710691)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tensin (CHEBI:219307) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R)-4-[[(3S,6S,9S,12R,15S,18R,21R,24R,27R,28R)-12-(3-amino-3-oxopropyl)-6-[(2S)-butan-2-yl]-3-(2-carboxyethyl)-18-(hydroxymethyl)-28-methyl-9,15,21,24-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]amino]-3-[[(2R)-2-[[(3S)-3-hydroxydecanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid