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CHEBI:224523 - Stechlisin F

ChEBI IDCHEBI:224523
ChEBI NameStechlisin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC69H120N12O20
Net Charge0
Average Mass1437.783
Monoisotopic Mass1436.87418
SMILESCCCCCCCCC[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/C69H120N12O20/c1-15-17-18-19-20-21-22-23-43(83)33-54(85)71-46(28-36(3)4)60(91)77-51(34-56(88)89)65(96)81-58-42(14)101-69(100)45(25-27-55(86)87)73-67(98)57(41(13)16-2)80-64(95)50(32-40(11)12)74-59(90)44(24-26-53(70)84)72-61(92)47(29-37(5)6)76-66(97)52(35-82)79-63(94)48(30-38(7)8)75-62(93)49(31-39(9)10)78-68(58)99/h36-52,57-58,82-83H,15-35H2,1-14H3,(H2,70,84)(H,71,85)(H,72,92)(H,73,98)(H,74,90)(H,75,93)(H,76,97)(H,77,91)(H,78,99)(H,79,94)(H,80,95)(H,81,96)(H,86,87)(H,88,89)/t41-,42+,43-,44+,45-,46+,47-,48+,49+,50-,51+,52+,57-,58+/m0/s1
InChIKeyYTFQPQJITWJRMB-NGNLIAESSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (32822175)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Stechlisin F (CHEBI:224523) 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-hydroxydodecanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid