Concept information
Preferred term
[Dha7] MC HphR
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C52H72N10O12
inchi
- InChI=1S/C52H72N10O12/c1-29(27-30(2)41(74-7)28-36-17-12-9-13-18-36)20-22-37-31(3)44(64)61-40(50(70)71)24-25-42(63)56-33(5)46(66)57-34(6)47(67)60-39(23-21-35-15-10-8-11-16-35)49(69)62-43(51(72)73)32(4)45(65)59-38(48(68)58-37)19-14-26-55-52(53)54/h8-13,15-18,20,22,27,30-32,34,37-41,43H,5,14,19,21,23-26,28H2,1-4,6-7H3,(H,56,63)(H,57,66)(H,58,68)(H,59,65)(H,60,67)(H,61,64)(H,62,69)(H,70,71)(H,72,73)(H4,53,54,55)/b22-20+,29-27+/t30-,31-,32-,34+,37-,38-,39-,40+,41-,43+/m0/s1
inchikey
- DCAGLOYSRZSAJK-ZIHFDJJESA-N
mass
- 1029.206
monoisotopicmass
- 1028.53312
smiles
- O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(NC1=C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CCC3=CC=CC=C3)C
subset
- 2_STAR
synonym EXACT
- (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-8-(2-phenylethyl)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:214212
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