Concept information
Preferred term
آکواچلین I
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C44H76N10O21
inchi
- InChI=1S/C44H76N10O21/c1-4-5-6-7-8-9-10-13-26(60)20-34(62)52-35(36(63)44(72)73)42(69)51-32(23-57)41(68)50-30(21-55)39(66)47-28(16-17-33(45)61)38(65)46-27(14-11-18-53(74)24(2)58)37(64)49-31(22-56)40(67)48-29(43(70)71)15-12-19-54(75)25(3)59/h26-32,35-36,55-57,60,63,74-75H,4-23H2,1-3H3,(H2,45,61)(H,46,65)(H,47,66)(H,48,67)(H,49,64)(H,50,68)(H,51,69)(H,52,62)(H,70,71)(H,72,73)
inchikey
- GMPWCLNTXHKZJN-UHFFFAOYSA-N
mass
- 1081.141
monoisotopicmass
- 1080.51865
smiles
- O=C(O)C(O)C(NC(=O)CC(O)CCCCCCCCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN(O)C(=O)C)CO)CCCN(O)C(=O)C)CCC(=O)N)CO)CO
subset
- 2_STAR
synonym EXACT
- 5-[acetyl(hydroxy)amino]-2-[[2-[[5-[acetyl(hydroxy)amino]-2-[[5-amino-2-[[2-[[2-[[3-carboxy-3-hydroxy-2-(3-hydroxydodecanoylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:212776
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